mirror of https://gitlab.com/QEF/q-e.git
49 lines
1.6 KiB
Plaintext
49 lines
1.6 KiB
Plaintext
*** FILE AUTOMATICALLY CREATED: DO NOT EDIT, CHANGES WILL BE LOST ***
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------------------------------------------------------------------------
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INPUT FILE DESCRIPTION
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Program: oscdft_pp.x / PWscf / Quantum ESPRESSO (version: 7.3.1)
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------------------------------------------------------------------------
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Input data format: { } = optional, [ ] = it depends, | = or
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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. 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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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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+--------------------------------------------------------------------
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Variable: prefix
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Type: CHARACTER
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Status: REQUIRED
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Description: prefix of the pw.x calculation.
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+--------------------------------------------------------------------
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+--------------------------------------------------------------------
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Variable: outdir
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Type: CHARACTER
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Status: REQUIRED
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Description: directory containing the input data, i.e. the same as in pw.x
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+--------------------------------------------------------------------
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===END OF NAMELIST======================================================
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This file has been created by helpdoc utility on Fri Dec 15 09:55:20 CET 2023
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