Commit 21d5ff92 authored by Oliviero Andreussi's avatar Oliviero Andreussi

Merge branch 'develop' of gitlab.com:QEF/q-e into develop

parents acf88e29 d87ee7b4
......@@ -46,7 +46,7 @@
<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
cp.x / CP / Quantum Espresso<span style="font-weight: normal;"> (version: svn)</span>
cp.x / CP / Quantum Espresso<span style="font-weight: normal;"> (version: 6.4)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
......@@ -586,7 +586,8 @@ See also etot_conv_thr - both criteria must be satisfied.
</td>
</tr>
<tr><td align="left" valign="top" colspan="2"><blockquote><pre style="margin-bottom: -1em;">
'small': memory-saving tricks are implemented. Currently:
'small': NO LONGER IMPLEMENTED SINCE v.6.3
memory-saving tricks are implemented. Currently:
- the G-vectors are sorted only locally, not globally
- they are not collected and written to file
For large systems, the memory and time gain is sizable
......@@ -3938,7 +3939,7 @@ ENDRULES
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Tue Oct 23 15:42:16 CEST 2018.
This file has been created by helpdoc utility on Fri Mar 01 17:56:47 CET 2019.
</small>
</body>
</html>
......@@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: cp.x / CP / Quantum Espresso (version: svn)
Program: cp.x / CP / Quantum Espresso (version: 6.4)
------------------------------------------------------------------------
......@@ -311,7 +311,8 @@ NAMELIST: &CONTROL
Type: CHARACTER
Default: 'default'
Description: 'small': memory-saving tricks are implemented. Currently:
Description: 'small': NO LONGER IMPLEMENTED SINCE v.6.3
memory-saving tricks are implemented. Currently:
- the G-vectors are sorted only locally, not globally
- they are not collected and written to file
For large systems, the memory and time gain is sizable
......@@ -2490,4 +2491,4 @@ CARD: AUTOPILOT
===END OF CARD==========================================================
This file has been created by helpdoc utility on Tue Oct 23 15:42:16 CEST 2018
This file has been created by helpdoc utility on Fri Mar 01 17:56:47 CET 2019
......@@ -46,7 +46,7 @@
<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
cppp.x / CP / Quantum Espresso<span style="font-weight: normal;"> (version: svn)</span>
cppp.x / CP / Quantum Espresso<span style="font-weight: normal;"> (version: 6.4)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
......@@ -406,7 +406,7 @@ to be read and plotted
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jun 22 17:11:00 CEST 2018.
This file has been created by helpdoc utility on Fri Mar 01 17:56:48 CET 2019.
</small>
</body>
</html>
......@@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: cppp.x / CP / Quantum Espresso (version: svn)
Program: cppp.x / CP / Quantum Espresso (version: 6.4)
------------------------------------------------------------------------
......@@ -225,4 +225,4 @@ NAMELIST: &INPUTPP
===END OF NAMELIST======================================================
This file has been created by helpdoc utility on Fri Jun 22 17:10:59 CEST 2018
This file has been created by helpdoc utility on Fri Mar 01 17:56:48 CET 2019
VERSION = svn
VERSION = git
HELPDOC = ../../dev-tools/helpdoc -version $(VERSION)
LATEX = pdflatex
LATEX2HTML = latex2html
......
......@@ -21,7 +21,6 @@ release:
rm -rf examples/*/epw/out/* examples/*/epw/tmp/* \
examples/*/phonons/out/* examples/*/phonons/tmp/* \
examples/*/phonons/save/* ; \
rm -rf .svn */.svn */*/*.svn */*/*/*.svn */*/*/*/*.svn
cd .. ; tar cfz EPW/EPW-release.tgz EPW-release ; \
rm -rf EPW-release ; cd EPW
......@@ -49,12 +49,4 @@ TEST0: test0.o libqefft.a
clean :
- /bin/rm -f *.o *.a *.d *.i *~ *_tmp.f90 *.mod *.L
# .PHONY forces execution of a rule irrespective of the presence of an
# updated file with the same name of the rule. In this way, the script
# that generates version.f90 always runs, updating the version if you
# execute "svn update". The update_version script takes care of not
# changing the file if the svn version did not change
.PHONY: all clean
include make.depend
......@@ -46,7 +46,7 @@
<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
hp.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: git)</span>
hp.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 6.4)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
......@@ -55,15 +55,15 @@
<blockquote>
<p><a href="#idm6454080">INTRODUCTION</a></p>
<p><a href="#idm6435680">&amp;INPUTHP</a></p>
<p><a href="#idm3">INTRODUCTION</a></p>
<p><a href="#idm8">&amp;INPUTHP</a></p>
<blockquote>
<a href="#idm6435152">prefix</a> | <a href="#idm6433200">outdir</a> | <a href="#idm6430448">iverbosity</a> | <a href="#idm6428352">max_seconds</a> | <a href="#idm6426048">nq1</a> | <a href="#idm6425424">nq2</a> | <a href="#idm6424752">nq3</a> | <a href="#idm6423072">skip_equivalence_q</a> | <a href="#idm6421056">determine_num_pert_only</a> | <a href="#idm6418752">find_atpert</a> | <a href="#idm6416352">docc_thr</a> | <a href="#idm6414432">skip_type</a> | <a href="#idm6411856">equiv_type</a> | <a href="#idm6409440">perturb_only_atom</a> | <a href="#idm6407024">start_q</a> | <a href="#idm6404704">last_q</a> | <a href="#idm6402368">sum_pertq</a> | <a href="#idm6399968">compute_hp</a> | <a href="#idm6397328">conv_thr_chi</a> | <a href="#idm6395456">thresh_init</a> | <a href="#idm6393472">ethr_nscf</a> | <a href="#idm6391504">niter_max</a> | <a href="#idm6389648">alpha_mix(i)</a> | <a href="#idm6386944">nmix</a>
<a href="#idm9">prefix</a> | <a href="#idm12">outdir</a> | <a href="#idm17">iverbosity</a> | <a href="#idm20">max_seconds</a> | <a href="#idm24">nq1</a> | <a href="#idm25">nq2</a> | <a href="#idm26">nq3</a> | <a href="#idm29">skip_equivalence_q</a> | <a href="#idm32">determine_num_pert_only</a> | <a href="#idm36">find_atpert</a> | <a href="#idm39">docc_thr</a> | <a href="#idm42">skip_type</a> | <a href="#idm46">equiv_type</a> | <a href="#idm50">perturb_only_atom</a> | <a href="#idm54">start_q</a> | <a href="#idm58">last_q</a> | <a href="#idm62">sum_pertq</a> | <a href="#idm66">compute_hp</a> | <a href="#idm70">conv_thr_chi</a> | <a href="#idm73">thresh_init</a> | <a href="#idm76">ethr_nscf</a> | <a href="#idm79">niter_max</a> | <a href="#idm82">alpha_mix(i)</a> | <a href="#idm86">nmix</a>
</blockquote>
</blockquote>
</blockquote>
<blockquote>
<a name="idm6454080"></a><h3>INTRODUCTION</h3>
<a name="idm3"></a><h3>INTRODUCTION</h3>
<blockquote><pre>
<b>Input data format:</b> { } = optional, [ ] = it depends, # = comment
......@@ -75,11 +75,11 @@
<b>/</b>
</pre></blockquote>
</blockquote>
<a name="idm6435680"></a><a name="INPUTHP"></a><table border="0" width="100%" style="margin-bottom: 20;">
<a name="idm8"></a><a name="INPUTHP"></a><table border="0" width="100%" style="margin-bottom: 20;">
<tr><th bgcolor="#ddcba6"><h2 style="margin: 10 10 10 15; text-align: left;"> Namelist: <span class="namelist"><span style="font-weight:normal">&amp;</span>INPUTHP</span>
</h2></th></tr>
<tr><td style="text-align: left; background: #ffebc6; padding: 5 5 5 30; "><table style="border-color: #505087; border-style: solid; border-width: 0; margin-bottom: 10; table-layout: auto; width: 800;"><tbody><tr><td>
<a name="idm6435152"></a><a name="prefix"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm9"></a><a name="prefix"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">prefix</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">CHARACTER</td>
......@@ -95,7 +95,7 @@ used in the calculation of unperturbed system.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6433200"></a><a name="outdir"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm12"></a><a name="outdir"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">outdir</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">CHARACTER</td>
......@@ -114,7 +114,7 @@ the unperturbed system.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6430448"></a><a name="iverbosity"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm17"></a><a name="iverbosity"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">iverbosity</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -136,7 +136,7 @@ the unperturbed system.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6428352"></a><a name="max_seconds"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm20"></a><a name="max_seconds"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">max_seconds</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">REAL</td>
......@@ -154,7 +154,7 @@ Maximum allowed run time before the job stops smoothly.
<table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="white-space: nowrap; background: #ffff99; padding: 2 2 2 10; ">
<a name="idm6426048"></a><a name="nq1"></a>nq1, <a name="idm6425424"></a><a name="nq2"></a>nq2, <a name="idm6424752"></a><a name="nq3"></a>nq3</th>
<a name="idm24"></a><a name="nq1"></a>nq1, <a name="idm25"></a><a name="nq2"></a>nq2, <a name="idm26"></a><a name="nq3"></a>nq3</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
</tr>
<tr>
......@@ -168,7 +168,7 @@ Same meaning as for nk1, nk2, nk3 in the input of pw.x.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6423072"></a><a name="skip_equivalence_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm29"></a><a name="skip_equivalence_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">skip_equivalence_q</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
......@@ -187,7 +187,7 @@ calculations only for inequivalent q points.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6421056"></a><a name="determine_num_pert_only"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm32"></a><a name="determine_num_pert_only"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">determine_num_pert_only</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
......@@ -208,7 +208,7 @@ without performing any calculation.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6418752"></a><a name="find_atpert"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm36"></a><a name="find_atpert"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">find_atpert</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -235,7 +235,7 @@ Method for searching of atoms which must be perturbed.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6416352"></a><a name="docc_thr"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm39"></a><a name="docc_thr"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">docc_thr</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">REAL</td>
......@@ -252,7 +252,7 @@ be perturbed. Can be used only when find_atpert = 1.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6414432"></a><a name="skip_type"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm42"></a><a name="skip_type"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">skip_type</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
......@@ -278,7 +278,7 @@ This keyword cannot be used when find_atpert = 1.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6411856"></a><a name="equiv_type"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm46"></a><a name="equiv_type"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">equiv_type</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -301,7 +301,7 @@ This keyword cannot be used when find_atpert = 1.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6409440"></a><a name="perturb_only_atom"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm50"></a><a name="perturb_only_atom"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">perturb_only_atom</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
......@@ -324,7 +324,7 @@ has a higher priority than skip_type.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6407024"></a><a name="start_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm54"></a><a name="start_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">start_q</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -347,7 +347,7 @@ the total number of q points found.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6404704"></a><a name="last_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm58"></a><a name="last_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">last_q</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -370,7 +370,7 @@ the total number of q points found.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6402368"></a><a name="sum_pertq"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm62"></a><a name="sum_pertq"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">sum_pertq</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
......@@ -394,7 +394,7 @@ start_q, last_q and perturb_only_atom are used.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6399968"></a><a name="compute_hp"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm66"></a><a name="compute_hp"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">compute_hp</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
......@@ -421,7 +421,7 @@ calculation was parallelized over perturbations.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6397328"></a><a name="conv_thr_chi"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm70"></a><a name="conv_thr_chi"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">conv_thr_chi</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">REAL</td>
......@@ -438,7 +438,7 @@ occupation matrix.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6395456"></a><a name="thresh_init"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm73"></a><a name="thresh_init"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">thresh_init</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">REAL</td>
......@@ -457,7 +457,7 @@ number of electrons in the system.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6393472"></a><a name="ethr_nscf"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm76"></a><a name="ethr_nscf"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">ethr_nscf</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">REAL</td>
......@@ -475,7 +475,7 @@ k and k+q points. Note, this quantity is NOT extensive.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6391504"></a><a name="niter_max"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm79"></a><a name="niter_max"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">niter_max</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -491,7 +491,7 @@ solution of the linear-response Kohn-Sham equations.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6389648"></a><a name="alpha_mix"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm82"></a><a name="alpha_mix"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">alpha_mix(i)</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">REAL</td>
......@@ -508,7 +508,7 @@ method: D.D. Johnson, <a href="https://journals.aps.org/prb/abstract/10.1103/Phy
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm6386944"></a><a name="nmix"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm86"></a><a name="nmix"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">nmix</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -530,7 +530,7 @@ D.D. Johnson, <a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.38
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Sep 07 12:30:30 CEST 2018.
This file has been created by helpdoc utility on Fri Mar 01 17:56:48 CET 2019.
</small>
</body>
</html>
......@@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: hp.x / PWscf / Quantum Espresso (version: git)
Program: hp.x / PWscf / Quantum Espresso (version: 6.4)
------------------------------------------------------------------------
......@@ -284,4 +284,4 @@ NAMELIST: &INPUTHP
===END OF NAMELIST======================================================
This file has been created by helpdoc utility on Fri Sep 07 12:30:30 CEST 2018
This file has been created by helpdoc utility on Fri Mar 01 17:56:48 CET 2019
......@@ -22,12 +22,4 @@ libcg.a: $(CG)
clean :
- /bin/rm -f *.o *.a *.d *.i *~ *_tmp.f90 *.mod *.L *.x
# .PHONY forces execution of a rule irrespective of the presence of an
# updated file with the same name of the rule. In this way, the script
# that generates version.f90 always runs, updating the version if you
# execute "svn update". The update_version script takes care of not
# changing the file if the svn version did not change
.PHONY: all clean
include make.depend
......@@ -20,12 +20,4 @@ libdavid.a: $(DAVID)
clean :
- /bin/rm -f *.o *.a *.d *.i *~ *_tmp.f90 *.mod *.L *.x
# .PHONY forces execution of a rule irrespective of the presence of an
# updated file with the same name of the rule. In this way, the script
# that generates version.f90 always runs, updating the version if you
# execute "svn update". The update_version script takes care of not
# changing the file if the svn version did not change
.PHONY: all clean
include make.depend
......@@ -18,12 +18,4 @@ libdavid_rci.a: $(DAVID_RCI)
clean :
- /bin/rm -f *.o *.a *.d *.i *~ *_tmp.f90 *.mod *.L *.x
# .PHONY forces execution of a rule irrespective of the presence of an
# updated file with the same name of the rule. In this way, the script
# that generates version.f90 always runs, updating the version if you
# execute "svn update". The update_version script takes care of not
# changing the file if the svn version did not change
.PHONY: all clean
include make.depend
......@@ -20,12 +20,4 @@ libppcg.a: $(PPCG)
clean :
- /bin/rm -f *.o *.a *.d *.i *~ *_tmp.f90 *.mod *.L *.x
# .PHONY forces execution of a rule irrespective of the presence of an
# updated file with the same name of the rule. In this way, the script
# that generates version.f90 always runs, updating the version if you
# execute "svn update". The update_version script takes care of not
# changing the file if the svn version did not change
.PHONY: all clean
include make.depend
......@@ -337,8 +337,7 @@ veryclean : clean
- @(cd install ; $(MAKE) -f plugins_makefile veryclean)
- @(cd install ; $(MAKE) -f extlibs_makefile veryclean)
- rm -rf install/patch-plumed
- cd install ; rm -f config.log configure.msg config.status \
CPV/version.h ChangeLog* intel.pcl */intel.pcl
- cd install ; rm -f config.log configure.msg config.status
- rm -rf include/configure.h install/make_wannier90.inc
- cd install ; rm -fr autom4te.cache
- cd install; ./clean.sh ; cd -
......@@ -391,10 +390,10 @@ tar-qe-modes :
# "latex2html" and "convert" (from Image-Magick) are needed.
doc :
if test -d Doc ; then \
( cd Doc ; $(MAKE) TLDEPS= all ) ; fi
( cd Doc ; $(MAKE) VERSION=6.4 TLDEPS= all ) ; fi
for dir in */Doc; do \
( if test -f $$dir/Makefile ; then \
( cd $$dir; $(MAKE) TLDEPS= all ) ; fi ) ; done
( cd $$dir; $(MAKE) VERSION=6.4 TLDEPS= all ) ; fi ) ; done
doc_clean :
if test -d Doc ; then \
......
......@@ -46,7 +46,7 @@
<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
neb.x / NEB / Quantum Espresso<span style="font-weight: normal;"> (version: svn)</span>
neb.x / NEB / Quantum Espresso<span style="font-weight: normal;"> (version: 6.4)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
......@@ -711,7 +711,7 @@ Here can follow other <b>pw</b> specific <b>cards</b> ...
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jun 22 17:11:02 CEST 2018.
This file has been created by helpdoc utility on Fri Mar 01 17:56:50 CET 2019.
</small>
</body>
</html>
......@@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: neb.x / NEB / Quantum Espresso (version: svn)
Program: neb.x / NEB / Quantum Espresso (version: 6.4)
------------------------------------------------------------------------
......@@ -470,4 +470,4 @@ Structure of the NEB-only input data (file neb.dat):
### END OF SUPERCARD : BEGIN/END ######################################
This file has been created by helpdoc utility on Fri Jun 22 17:11:02 CEST 2018
This file has been created by helpdoc utility on Fri Mar 01 17:56:50 CET 2019
VERSION = svn
VERSION = git
HELPDOC = ../../dev-tools/helpdoc -version $(VERSION)
LATEX = pdflatex
LATEX2HTML = latex2html
......
......@@ -46,7 +46,7 @@
<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
dynmat.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: svn)</span>
dynmat.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 6.4)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
......@@ -337,7 +337,7 @@ set to .true. to activate two-dimensional treatment of LO-TO splitting.
</td></tr>
</table>
<small>
This file has been created by helpdoc utility on Fri Jun 22 17:11:33 CEST 2018.
This file has been created by helpdoc utility on Fri Mar 01 17:57:19 CET 2019.
</small>
</body>
</html>
......@@ -3,7 +3,7 @@
------------------------------------------------------------------------
INPUT FILE DESCRIPTION
Program: dynmat.x / PWscf / Quantum Espresso (version: svn)
Program: dynmat.x / PWscf / Quantum Espresso (version: 6.4)
------------------------------------------------------------------------
......@@ -176,4 +176,4 @@ NAMELIST: &INPUT
===END OF NAMELIST======================================================
This file has been created by helpdoc utility on Fri Jun 22 17:11:33 CEST 2018
This file has been created by helpdoc utility on Fri Mar 01 17:57:19 CET 2019
......@@ -46,7 +46,7 @@
<tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
ph.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: svn)</span>
ph.x / PWscf / Quantum Espresso<span style="font-weight: normal;"> (version: 6.4)</span>
</h2>
</th></tr>
<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
......@@ -59,17 +59,17 @@
<p><a href="#idm15">Line-of-input:</a> <a href="#idm16">title_line</a></p>
<p><a href="#idm18">&amp;INPUTPH</a></p>
<blockquote>
<a href="#idm19">amass</a> | <a href="#idm22">outdir</a> | <a href="#idm27">prefix</a> | <a href="#idm30">niter_ph</a> | <a href="#idm33">tr2_ph</a> | <a href="#idm36">alpha_mix(niter)</a> | <a href="#idm39">nmix_ph</a> | <a href="#idm42">verbosity</a> | <a href="#idm48">reduce_io</a> | <a href="#idm51">max_seconds</a> | <a href="#idm54">fildyn</a> | <a href="#idm57">fildrho</a> | <a href="#idm60">fildvscf</a> | <a href="#idm63">epsil</a> | <a href="#idm67">lrpa</a> | <a href="#idm70">lnoloc</a> | <a href="#idm73">trans</a> | <a href="#idm78">lraman</a> | <a href="#idm84">eth_rps</a> | <a href="#idm87">eth_ns</a> | <a href="#idm90">dek</a> | <a href="#idm93">recover</a> | <a href="#idm96">low_directory_check</a> | <a href="#idm99">only_init</a> | <a href="#idm102">qplot</a> | <a href="#idm105">q2d</a> | <a href="#idm108">q_in_band_form</a> | <a href="#idm111">electron_phonon</a> | <a href="#idm124">lshift_q</a> | <a href="#idm127">zeu</a> | <a href="#idm133">zue</a> | <a href="#idm138">elop</a> | <a href="#idm141">fpol</a> | <a href="#idm145">ldisp</a> | <a href="#idm151">nogg</a> | <a href="#idm154">asr</a> | <a href="#idm157">ldiag</a> | <a href="#idm162">lqdir</a> | <a href="#idm167">search_sym</a> | <a href="#idm171">nq1</a> | <a href="#idm172">nq2</a> | <a href="#idm173">nq3</a> | <a href="#idm178">nk1</a> | <a href="#idm179">nk2</a> | <a href="#idm180">nk3</a> | <a href="#idm181">k1</a> | <a href="#idm182">k2</a> | <a href="#idm183">k3</a> | <a href="#idm188">start_irr</a> | <a href="#idm198">last_irr</a> | <a href="#idm208">nat_todo</a> | <a href="#idm213">modenum</a> | <a href="#idm218">start_q</a> | <a href="#idm229">last_q</a> | <a href="#idm241">dvscf_star</a> | <a href="#idm249">drho_star</a>
<a href="#idm19">amass</a> | <a href="#idm22">outdir</a> | <a href="#idm27">prefix</a> | <a href="#idm30">niter_ph</a> | <a href="#idm33">tr2_ph</a> | <a href="#idm36">alpha_mix(niter)</a> | <a href="#idm39">nmix_ph</a> | <a href="#idm42">verbosity</a> | <a href="#idm48">reduce_io</a> | <a href="#idm51">max_seconds</a> | <a href="#idm54">fildyn</a> | <a href="#idm57">fildrho</a> | <a href="#idm60">fildvscf</a> | <a href="#idm63">epsil</a> | <a href="#idm67">lrpa</a> | <a href="#idm70">lnoloc</a> | <a href="#idm73">trans</a> | <a href="#idm78">lraman</a> | <a href="#idm84">eth_rps</a> | <a href="#idm87">eth_ns</a> | <a href="#idm90">dek</a> | <a href="#idm93">recover</a> | <a href="#idm96">low_directory_check</a> | <a href="#idm99">only_init</a> | <a href="#idm102">qplot</a> | <a href="#idm105">q2d</a> | <a href="#idm108">q_in_band_form</a> | <a href="#idm111">electron_phonon</a> | <a href="#idm124">lshift_q</a> | <a href="#idm127">zeu</a> | <a href="#idm133">zue</a> | <a href="#idm138">elop</a> | <a href="#idm141">fpol</a> | <a href="#idm145">ldisp</a> | <a href="#idm151">nogg</a> | <a href="#idm154">asr</a> | <a href="#idm157">ldiag</a> | <a href="#idm162">lqdir</a> | <a href="#idm167">search_sym</a> | <a href="#idm171">nq1</a> | <a href="#idm172">nq2</a> | <a href="#idm173">nq3</a> | <a href="#idm178">nk1</a> | <a href="#idm179">nk2</a> | <a href="#idm180">nk3</a> | <a href="#idm181">k1</a> | <a href="#idm182">k2</a> | <a href="#idm183">k3</a> | <a href="#idm186">read_dns_bare</a> | <a href="#idm191">start_irr</a> | <a href="#idm201">last_irr</a> | <a href="#idm211">nat_todo</a> | <a href="#idm216">modenum</a> | <a href="#idm221">start_q</a> | <a href="#idm232">last_q</a> | <a href="#idm244">dvscf_star</a> | <a href="#idm252">drho_star</a>
</blockquote>
<p><a href="#idm261">Line-of-input:</a> <a href="#idm262"> xq(1) xq(2) xq(3)
<p><a href="#idm264">Line-of-input:</a> <a href="#idm265"> xq(1) xq(2) xq(3)
</a></p>
<p><a href="#idm270">qPointsSpecs</a></p>
<p><a href="#idm273">qPointsSpecs</a></p>
<blockquote>
<a href="#idm273">nqs</a> | <a href="#idm281">xq1</a> | <a href="#idm282">xq2</a> | <a href="#idm283">xq3</a> | <a href="#idm284">nq</a>
<a href="#idm276">nqs</a> | <a href="#idm284">xq1</a> | <a href="#idm285">xq2</a> | <a href="#idm286">xq3</a> | <a href="#idm287">nq</a>
</blockquote>
<p><a href="#idm288">Line-of-input:</a> <a href="#idm289"> atom(1) atom(2) ... atom(nat_todo)
<p><a href="#idm291">Line-of-input:</a> <a href="#idm292"> atom(1) atom(2) ... atom(nat_todo)
</a></p>
<p><a href="#idm293"> ADDITIONAL INFORMATION </a></p>
<p><a href="#idm296"> ADDITIONAL INFORMATION </a></p>
</blockquote>
</blockquote>
<blockquote>
......@@ -862,11 +862,34 @@ nk1,nk2,nk3 are the parameters of the Monkhorst-Pack grid
with offset determined by k1,k2,k3.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm186"></a><a name="read_dns_bare"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">read_dns_bare</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">LOGICAL</td>
</tr>
<tr>
<td style="text-align: right; vertical-align: top; background: #ffffc3; padding: 2 10 2 10; "><i>Default:</i></td>
<td style="text-align: left; vertical-align: top; background: #fff3d9; padding: 2 2 2 5; "> .false.
</td>
</tr>
<tr><td align="left" valign="top" colspan="2"><blockquote><pre style="margin-bottom: -1em;">
If .true. the PH code tries to read three files in the DFPT+U
calculation: dns_orth, dns_bare, d2ns_bare.
dns_orth and dns_bare are the first-order variations of
the occupation matrix, while d2ns_bare is the second-order
variation of the occupation matrix. These matrices are
computed only once during the DFPT+U calculation. However,
their calculation (especially of d2ns_bare) is computationally
expensive, this is why they are written to file and then can be
read (e.g. for restart) in order to save time.
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<table style="border-color: #bb9977; border-style: solid; border-width: 3; margin-bottom: 10; table-layout: auto; background-color: #FFddbb; width: 100%; padding: 5 5 0 30"><tr><td>
<p><b> Specification of irreducible representation
</b></p>
<a name="idm188"></a><a name="start_irr"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm191"></a><a name="start_irr"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">start_irr</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -891,7 +914,7 @@ IMPORTANT:
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm198"></a><a name="last_irr"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm201"></a><a name="last_irr"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">last_irr</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -916,7 +939,7 @@ IMPORTANT:
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm208"></a><a name="nat_todo"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm211"></a><a name="nat_todo"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">nat_todo</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -941,7 +964,7 @@ IMPORTANT:
</pre></blockquote></td></tr>
</table>
<div align="right" style="margin-bottom: 5;">[<a href="#__top__">Back to Top</a>]</div>
<a name="idm213"></a><a name="modenum"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm216"></a><a name="modenum"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">modenum</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -967,7 +990,7 @@ a column of the dynamical matrix.
<table style="border-color: #bb9977; border-style: solid; border-width: 3; margin-bottom: 10; table-layout: auto; background-color: #FFddbb; width: 100%; padding: 5 5 0 30"><tr><td>
<p><b> q-point specification
</b></p>
<a name="idm218"></a><a name="start_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm221"></a><a name="start_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<tr>
<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">start_q</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -992,7 +1015,7 @@ IMPORTANT:
</pre></blockquote></td></tr>
</table>
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<a name="idm229"></a><a name="last_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm232"></a><a name="last_q"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
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<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">last_q</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">INTEGER</td>
......@@ -1017,7 +1040,7 @@ IMPORTANT
</pre></blockquote></td></tr>
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<a name="idm241"></a><a name="dvscf_star"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
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<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">dvscf_star</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">STRUCTURE</td>
......@@ -1062,7 +1085,7 @@ Note2: this feature is currently untested with image parallelisation.
</pre></blockquote></td></tr>
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<a name="idm249"></a><a name="drho_star"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
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<th align="left" valign="top" width="20%" style="background: #ffff99; padding: 2 2 2 10; ">drho_star</th>
<td style="text-align: left; vertical-align: top; background: #ffffc3; padding: 2 2 2 5; ">STRUCTURE</td>
......@@ -1099,7 +1122,7 @@ Notice that the defaults are different.
</table>
<table style="border-color: #bb9977; border-style: solid; border-width: 3; margin-bottom: 10; table-layout: auto; width: 100%; padding: 5 5 0 5"><tr><td>
<b>IF </b><tt><em>ldisp != .true. and qplot != .true.</em> :</tt><blockquote><table style="border-color: #bb9977; border-style: solid; border-width: 3; margin-bottom: 10; table-layout: auto; background-color: #FFddbb; width: 100%; padding: 5 5 0 30"><tr><td>
<a name="idm261"></a><table border="0" width="100%" style="margin-bottom: 20; ">
<a name="idm264"></a><table border="0" width="100%" style="margin-bottom: 20; ">
<tr><th bgcolor="#ddcba6"><h3 style="margin: 10 10 10 15; text-align: left;">
Line of input
</h3></th></tr>
......@@ -1107,13 +1130,13 @@ Notice that the defaults are different.
<tr><td>
<h3>Syntax:</h3>
<blockquote>
<i><a href="#idm262"> xq(1) xq(2) xq(3)
<i><a href="#idm265"> xq(1) xq(2) xq(3)
</a></i>  </blockquote>
</td></tr>
<tr><td>
<h3>Description of items:</h3>
<blockquote>
<a name="idm262"></a><a name="xq_list"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
<a name="idm265"></a><a name="xq_list"></a><table width="100%" style="border-color: #b5b500; border-style: solid; border-width: 2; margin-bottom: 10; table-layout: auto; background-color: #FFFFFF;">
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<th width="20%" style="white-space: nowrap; text-align: left; vertical-align: top; background: #ffff99; padding: 2 2 2 10; "> xq(1) xq(2) xq(3)
</th>
......@@ -1134,32 +1157,32 @@ Not used if <a href="#ldisp">ldisp</a>=.true. or <a href="#qplot">qplot</a>=.tru
<b>ELSEIF </b><tt><em>qplot == .true.</em> :</tt><blockquote><table style="border-color: #bb9977; border-style: solid; border-width: 3; margin-bottom: 10; table-layout: auto; background-color: #FFddbb; width: 100%; padding: 5 5 0 30"><tr><td>
<p><b> Specification of q points when <a href="#qplot">qplot</a> == .true.
</b></p>
<a name="idm270"></a><a name="qPointsSpecs"></a><table border="0" style="margin-bottom: 20; table-layout: auto; width: 100%;">
<a name="idm273"></a><a name="qPointsSpecs"></a><table border="0" style="margin-bottom: 20; table-layout: auto; width: 100%;">
<tr><th bgcolor="#ddcba6"><h2 style="margin: 10 10 10 15; text-align: left; white-space: nowrap;">
Card: <span class="card">qPointsSpecs</span> </h2></th></tr>
<tr><td style="text-align: left; background: #ffebc6; padding: 5 5 5 30; "><table style="border-color: #505087; border-style: solid; border-width: 0; margin-bottom: 10; table-layout: auto; width: 100%;"><tbody>
<tr><td>
<h3>Syntax:</h3>
<blockquote><div class="syntax">
<i><a href="#idm273">nqs</a></i>  <br><a name="idm276"></a><table>
<i><a href="#idm276">nqs</a></i>  <br><a name="idm279"></a><table>
<tr>
<td style="white-space:nowrap"> <i><a href="#idm281">xq1(1)</a></i> </td>
<td style="white-space:nowrap"> <i><a href="#idm282">xq2(1)</a></i> </td>
<td style="white-space:nowrap"> <i><a href="#idm283">xq3(1)</a></i> </td>
<td style="white-space:nowrap"> <i><a href="#idm284">nq(1)</a></i> </td>
<td style="white-space:nowrap"> <i><a href="#idm284">xq1(1)</a></i> </td>
<td style="white-space:nowrap"> <i><a href="#idm285">xq2(1)</a></i> </td>
<td style="white-space:nowrap"> <i><a href="#idm286">xq3(1)</a></i> </td>