PREC: Difference between revisions
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'''Mind''': the settings {{TAG|PREC}}=Normal and {{TAG|PREC}}=Accurate are only available in VASP.4.5 and newer versions. The setting {{TAG|PREC}}=Single is only available as of VASP.5.1. | '''Mind''': the settings {{TAG|PREC}}=Normal and {{TAG|PREC}}=Accurate are only available in VASP.4.5 and newer versions. The setting {{TAG|PREC}}=Single is only available as of VASP.5.1. | ||
== Related Tags and Sections == | == Related Tags and Sections == |
Revision as of 15:09, 12 February 2011
PREC = Low | Medium | High | Normal | Single | Accurate
Default: PREC | = Medium | for VASP.4.X |
= Normal | for VASP.5.X |
Description: PREC specifies the "precision"-mode.
Changing the PREC parameter influences the defaults for four sets of parameters (ENCUT; NGX, NGY, NGZ; NGXF, NGYF, NGZF, and ROPT):
where
with Ecut=ENCUT and Eaug=ENAUG.
Mind: the settings PREC=Normal and PREC=Accurate are only available in VASP.4.5 and newer versions. The setting PREC=Single is only available as of VASP.5.1.
Related Tags and Sections
NGX, NGY, NGZ, NGXF, NGYF, NGZF, ENCUT, ENAUG, ENMAX