mirror of https://gitlab.com/QEF/q-e.git
36 lines
1.0 KiB
Modula-2
36 lines
1.0 KiB
Modula-2
input_description -distribution {Quantum ESPRESSO} -package {PWscf} -program {oscdft_pp.x} {
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toc {}
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intro {
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@b {Input data format:} { } = optional, [ ] = it depends, | = or
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@b {Purpose of oscdft_pp.x:}
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This calculates the occupation numbers, eigenvectors, and matrices as a post-processing
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program. @b REQUIRES the oscdft.in file in the same working directory as where the
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oscdft_pp.x command is ran.
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@b {Structure of the input data:}
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===============================================================================
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&OSCDFT_PP_NAMELIST
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...
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/
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}
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namelist OSCDFT_PP_NAMELIST {
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var prefix -type CHARACTER {
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status { REQUIRED }
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info {
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prefix of the pw.x calculation.
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}
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}
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var outdir -type CHARACTER {
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status { REQUIRED }
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info {
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directory containing the input data, i.e. the same as in pw.x
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}
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}
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}
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}
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