mirror of https://gitlab.com/QEF/q-e.git
some further small changes
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12759 c92efa57-630b-4861-b058-cf58834340f0
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@ -79,7 +79,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program dos.x
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}
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var fildos -type CHARACTER {
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default { "prefix".dos }
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default { "@ref prefix.dos" }
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info {
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output file containing DOS(E)
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}
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@ -74,7 +74,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program impor
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text {
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The utility will also expect to find, and copy, the
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outdir/data-file.xml and the *.UPF pseudopotential files in the
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prefix.save subdirectory, and will copy them from the outdir
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@ref prefix.save subdirectory, and will copy them from the outdir
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to the newoutdir. It will then convert the charge density and
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spin polarization files in the correct format. Other files,
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in particular wavefunctions and the band structure (files
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@ -85,7 +85,7 @@ input_description -distribution {Quantum Espresso} -package PWscf -program projw
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var filpdos -type CHARACTER {
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info { prefix for output files containing PDOS(E) }
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default { (value of prefix variable) }
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default { (value of @ref prefix variable) }
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}
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var filproj -type CHARACTER {
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@ -9,14 +9,14 @@ input_description -distribution {Quantum Espresso} -package PWscf -program bgw2p
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on top of the valence bands and want to diagonalize them in pw.x.
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Look at the documentation for SAPO code in BerkeleyGW for more information.
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bgw2pw.x reads common parameters from file prefix.save/data-file.xml and
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writes files prefix.save/charge-density.dat (charge density in R-space),
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prefix.save/gvectors.dat (G-vectors for charge density and potential),
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prefix.save/K$n/eigenval.xml (eigenvalues and occupations for nth k-point),
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prefix.save/K$n/evc.dat (wavefunctions in G-space for nth k-point), and
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prefix.save/K$n/gkvectors.dat (G-vectors for nth k-point).
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bgw2pw.x reads common parameters from file @ref prefix.save/data-file.xml and
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writes files @ref prefix.save/charge-density.dat (charge density in R-space),
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@ref prefix.save/gvectors.dat (G-vectors for charge density and potential),
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@ref prefix.save/K$n/eigenval.xml (eigenvalues and occupations for nth k-point),
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@ref prefix.save/K$n/evc.dat (wavefunctions in G-space for nth k-point), and
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@ref prefix.save/K$n/gkvectors.dat (G-vectors for nth k-point).
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bgw2pw.x doesn't modify file prefix.save/data-file.xml so make changes to this
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bgw2pw.x doesn't modify file @ref prefix.save/data-file.xml so make changes to this
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file manually (for example, you will need to change the number of bands if you
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are using bgw2pw.x in conjunction with SAPO code in BerkeleyGW).
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@ -69,9 +69,9 @@ input_description -distribution {Quantum Espresso} -package PWscf -program pw_ex
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info {
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Output file.
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If it is omitted, a directory "prefix.export/" is created
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If it is omitted, a directory "@ref prefix.export/" is created
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in outdir and some output files are put there. Anyway all the data
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are accessible through the "prefix.export/index.xml" file which
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are accessible through the "@ref prefix.export/index.xml" file which
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contains implicit pointers to all the other files in the
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export directory. If reading is done by the IOTK library
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all data appear to be in index.xml even if physically it is not.
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