beauty:variables
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beauty:variables [2018/06/20 21:28] – [Summary] Xavier Gonze | beauty:variables [2018/06/20 22:11] (current) – [To be clarified] Xavier Gonze | ||
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====== Summary ====== | ====== Summary ====== | ||
- | This page is destined to be a memo, to list ongoing work to improve the naming and default values for abinit input variables | + | This page is destined to be a memo, to list ongoing work or propositions |
- | and other variables or other namings in documentations. Also propositions might be mentioned | + | and other variables or other namings in documentation |
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===== Propositions ===== | ===== Propositions ===== | ||
- | default for ionmov should now be 22 | + | default for ionmov should now be 22 (XGonze will do it) |
default for ntime should be 20 | default for ntime should be 20 | ||
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introduce new input variable " | introduce new input variable " | ||
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+ | ==== To be clarified === | ||
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+ | (From ALherbier 20180614 - observed during the beautification ...) | ||
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+ | cpuh, cpum, cpus => should' | ||
+ | |||
+ | diecut/ | ||
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+ | kptbounds => personal remark : a big part of the description should be moved in another place of the website (kind of tutorial somehow). | ||
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+ | occ => not sure if the dimension given in the description is correct (as it does not seem to correspond to the text). | ||
+ | |||
+ | postoldff => should we give the units (I suppose in hartree/ | ||
+ | |||
+ | Should we remove the " | ||
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+ | ratsph => the description text contains this "(in version 4.2, this procedure is NOT implemented, | ||
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+ | scphon_supercell => "TO BE IMPROVED: should contain a tutorial on how to do self-consistent phonon calculations, | ||
+ | |||
+ | slabzbeg/ | ||
+ | |||
+ | so_psp => Is usepaw==0 still a condition? Or can we now use spin-orbit with paw in recent Abinit version? | ||
+ | |||
+ | spinat => In the description text, I found "In case of non-collinear magnetism (nsppol=1, nspinor=1, nspden=4)" | ||
+ | |||
+ | symafm => In the description text, I found " | ||
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+ | timopt => "If 4 --> | ||
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+ | tl_nprccg => "TO BE IMPROVED: all tl_* and wvl_* variables should contain a link to a tutorial, David Waroquiers 090831." | ||
+ | |||
+ | wvl_hgrid => Not in the list of gstate ! should' | ||
beauty/variables.txt · Last modified: 2018/06/20 22:11 by Xavier Gonze