Commit e0a1dc0c authored by giannozz's avatar giannozz

Minor documentation and make.depend updates

parent 6f895c4d
\documentclass[12pt,a4paper]{article}
\def\version{6.3}
\def\version{6.4}
\def\qe{{\sc Quantum ESPRESSO}}
\usepackage{html}
......@@ -729,6 +729,13 @@ but the configure script fails if includes and libraries are not placed
under the same root directory. In this case the user should manually set
the correct paths in the \texttt{make.inc} file.
\paragraph{LIBXC}
\qe\ can use \texttt{libxc} libraries. You need to compile \texttt{libxc}
first. Then, look for "libxc" in \texttt{make.inc} and follow the
instructions. Note that currently only a (small) subset of functionals
implemented in \texttt{libxc} can be used and that the \libxc}-enabled
version cannot use functionals from \qe. This will change in the future.
\paragraph{Other libraries}
\qe\ can use the MASS vector math
library from IBM, if available (only on machines with XLF compiler:
......
......@@ -22,7 +22,7 @@
!
USE kinds, ONLY : DP
USE mp, ONLY : mp_barrier, mp_sum
USE mp_global, ONLY : my_pool_id, npool, inter_pool_comm
USE mp_pools, ONLY : my_pool_id, npool, inter_pool_comm
USE ions_base, ONLY : nat
USE pwcom, ONLY : nbnd, nks, nkstot
USE gvect, ONLY : ngm
......
......@@ -169,8 +169,7 @@ elphon_shuffle.o : ../../LR_Modules/lrcom.o
elphon_shuffle.o : ../../Modules/fft_base.o
elphon_shuffle.o : ../../Modules/ions_base.o
elphon_shuffle.o : ../../Modules/kind.o
elphon_shuffle.o : ../../Modules/mp_global.o
elphon_shuffle.o : ../../Modules/mp_images.o
elphon_shuffle.o : ../../Modules/mp_pools.o
elphon_shuffle.o : ../../Modules/noncol.o
elphon_shuffle.o : ../../Modules/recvec.o
elphon_shuffle.o : ../../Modules/uspp.o
......
......@@ -8,7 +8,7 @@ compute_scf.o : ../../Modules/io_files.o
compute_scf.o : ../../Modules/io_global.o
compute_scf.o : ../../Modules/ions_base.o
compute_scf.o : ../../Modules/kind.o
compute_scf.o : ../../Modules/mp_global.o
compute_scf.o : ../../Modules/mp_images.o
compute_scf.o : ../../Modules/mp_world.o
compute_scf.o : ../../PW/src/atomic_wfc_mod.o
compute_scf.o : ../../PW/src/pwcom.o
......
......@@ -790,7 +790,6 @@ vasp_xml_module.o : ../../PW/src/Coul_cut_2D.o
vasp_xml_module.o : ../../PW/src/esm.o
vasp_xml_module.o : ../../PW/src/extfield.o
vasp_xml_module.o : ../../PW/src/io_rho_xml.o
vasp_xml_module.o : ../../PW/src/ldaU.o
vasp_xml_module.o : ../../PW/src/paw_init.o
vasp_xml_module.o : ../../PW/src/pw_restart_new.o
vasp_xml_module.o : ../../PW/src/pwcom.o
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment