NGYROMAG: Difference between revisions
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{{TAGDEF|NGYROMAG|[real array]|NTYP*1.0}} | {{TAGDEF|NGYROMAG|[real array]|NTYP*1.0}} | ||
Description: {{TAG|NGYROMAG}} specifies the nuclear gyromagnetic ratios (in MHz) for the atomic types on the {{FILE|POTCAR}} file. | Description: {{TAG|NGYROMAG}} specifies the nuclear gyromagnetic ratios (in MHz, for H<sub>0</sub> = 1 T) for the atomic types on the {{FILE|POTCAR}} file. | ||
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By means of the {{TAG|NGYROMAG}}-tag one can specify the nuclear gyromagnetic ratio: | By means of the {{TAG|NGYROMAG}}-tag one can specify the nuclear gyromagnetic ratio: | ||
Revision as of 16:07, 10 February 2014
NGYROMAG = [real array]
Default: NGYROMAG = NTYP*1.0
Description: NGYROMAG specifies the nuclear gyromagnetic ratios (in MHz, for H0 = 1 T) for the atomic types on the POTCAR file.
By means of the NGYROMAG-tag one can specify the nuclear gyromagnetic ratio:
NGYROMAG = gamma_1 gamma_2 ... gamma_N
where one should specify one number for each of the N species on the POSCAR file. If one does not set NGYROMAG in the INCAR file, VASP assumes a factor of 1 for each species.