Commit d93cbbb7 authored by giannozz's avatar giannozz
Browse files

Electron-phonon case was not reading its own files for ibrav=0 

Minor documentation and make.depend updated


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13999 c92efa57-630b-4861-b058-cf58834340f0
parent e67dd361

Doc/release-notes

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Problems fixed by development version:



  * Electron-phonon with ibrav=0 not working due to a mismatch between

    what is written and what is read in "fildyn" (r13999)



  * Tetrahedra with "old" XML format working again (r13993)



  * Option "-in file" for fermi_proj.x and fermi_velocity.x was not working

PHonon/Doc/INPUT_Gamma

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@@ -36,7 +36,7 @@ Input variables as in the phonon code: 
  outdir

  prefix

  fildyn

  epsil 

  epsil    Note that effective charges are also computed if epsil=.true.,

  trans

  recover

  tr2_ph   Note that Conjugate-Gradient algorithm stops when

PHonon/Doc/user_guide.tex

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@@ -124,8 +124,8 @@ late Prof. Eyvaz Isaev. 
Other contributors include: Lorenzo Paulatto (Univ. Paris VI) for

PAW, 2n+1 code; William Parker (Argonne) for phonon terms in dielectric

tensor; Tobias Wassmann (Univ. Paris VI) for third-order derivatives of GGA 

potential. Weicheng Bao (Nanjing University) helped debugging the phonon

code.

potential. Weicheng Bao (Nanjing University) and Norge Cruz Hernandez

(Universidad de Sevilla) helped debugging the phonon code.



%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

\input ../../Doc/quote.tex

PHonon/PH/elphon.f90

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@@ -203,6 +203,12 @@ SUBROUTINE readmat (iudyn, ibrav, celldm, nat, ntyp, ityp, omega, & 
  IF ( ntyp.NE.ntyp_ .OR. nat.NE.nat_ .OR.ibrav_.NE.ibrav .OR. &

       ABS ( celldm_ (1) - celldm (1) ) > 1.0d-5) &

          CALL errore ('readmat', 'inconsistent data', 1)

  IF ( ibrav_ == 0 ) THEN

     READ (iudyn, '(a)') line

     READ (iudyn, '(a)') line

     READ (iudyn, '(a)') line

     READ (iudyn, '(a)') line

  END IF

  DO nt = 1, ntyp

     READ (iudyn, * ) i, atm, amass_

     IF ( nt.NE.i .OR. ABS (amass_ - amu_ry*amass (nt) ) > 1.0d-5) &

PW/src/make.depend

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@@ -1596,6 +1596,7 @@ read_file.o : ../../Modules/control_flags.o 
read_file.o : ../../Modules/fft_base.o

read_file.o : ../../Modules/funct.o

read_file.o : ../../Modules/gvecw.o

read_file.o : ../../Modules/hdf5_qe.o

read_file.o : ../../Modules/io_files.o

read_file.o : ../../Modules/io_global.o

read_file.o : ../../Modules/ions_base.o
@@ -1632,7 +1633,6 @@ read_file_new.o : ../../Modules/fft_base.o 
read_file_new.o : ../../Modules/fft_rho.o

read_file_new.o : ../../Modules/funct.o

read_file_new.o : ../../Modules/gvecw.o

read_file_new.o : ../../Modules/hdf5_qe.o

read_file_new.o : ../../Modules/io_files.o

read_file_new.o : ../../Modules/io_global.o

read_file_new.o : ../../Modules/ions_base.o