scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

some further small changes 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12759 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
kokalj 2016-08-16 18:12:13 +00:00
parent 5a988f165a
commit 56b2c1fde1
5 changed files with 12 additions and 12 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
PP/Doc/INPUT_DOS.def
View File

@ -79,7 +79,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program dos.x
}
var fildos -type CHARACTER {
default { "prefix".dos }
default { "@ref prefix.dos" }
info {
output file containing DOS(E)
}

2
PP/Doc/INPUT_IMPORTEXPORT_BINARY.def
View File

@ -74,7 +74,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program impor
text {
The utility will also expect to find, and copy, the
outdir/data-file.xml and the *.UPF pseudopotential files in the
prefix.save subdirectory, and will copy them from the outdir
@ref prefix.save subdirectory, and will copy them from the outdir
to the newoutdir. It will then convert the charge density and
spin polarization files in the correct format. Other files,
in particular wavefunctions and the band structure (files

2
PP/Doc/INPUT_PROJWFC.def
View File

@ -85,7 +85,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program projw
var filpdos -type CHARACTER {
info { prefix for output files containing PDOS(E) }
default { (value of prefix variable) }
default { (value of @ref prefix variable) }
}
var filproj -type CHARACTER {

14
PP/Doc/INPUT_bgw2pw.def
View File

@ -9,14 +9,14 @@ input_description -distribution {Quantum Espresso} -package PWscf -program bgw2p
on top of the valence bands and want to diagonalize them in pw.x.
Look at the documentation for SAPO code in BerkeleyGW for more information.
bgw2pw.x reads common parameters from file prefix.save/data-file.xml and
writes files prefix.save/charge-density.dat (charge density in R-space),
prefix.save/gvectors.dat (G-vectors for charge density and potential),
prefix.save/K$n/eigenval.xml (eigenvalues and occupations for nth k-point),
prefix.save/K$n/evc.dat (wavefunctions in G-space for nth k-point), and
prefix.save/K$n/gkvectors.dat (G-vectors for nth k-point).
bgw2pw.x reads common parameters from file @ref prefix.save/data-file.xml and
writes files @ref prefix.save/charge-density.dat (charge density in R-space),
@ref prefix.save/gvectors.dat (G-vectors for charge density and potential),
@ref prefix.save/K$n/eigenval.xml (eigenvalues and occupations for nth k-point),
@ref prefix.save/K$n/evc.dat (wavefunctions in G-space for nth k-point), and
@ref prefix.save/K$n/gkvectors.dat (G-vectors for nth k-point).
bgw2pw.x doesn't modify file prefix.save/data-file.xml so make changes to this
bgw2pw.x doesn't modify file @ref prefix.save/data-file.xml so make changes to this
file manually (for example, you will need to change the number of bands if you
are using bgw2pw.x in conjunction with SAPO code in BerkeleyGW).

4
PP/Doc/INPUT_pw_export.def
View File

@ -69,9 +69,9 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw_ex
info {
Output file.
If it is omitted, a directory "prefix.export/" is created
If it is omitted, a directory "@ref prefix.export/" is created
in outdir and some output files are put there. Anyway all the data
are accessible through the "prefix.export/index.xml" file which
are accessible through the "@ref prefix.export/index.xml" file which
contains implicit pointers to all the other files in the
export directory. If reading is done by the IOTK library
all data appear to be in index.xml even if physically it is not.