NGYROMAG: Difference between revisions
Vaspmaster (talk | contribs) (Created page with '{{TAGDEF|NGYROMAG|[real array]|NTYP*1.0}} Description: {{TAG|NGYROMAG}} specifies the nuclear gyromagnetic ratios for the atomic types on the {{FILE|POTCAR}} file. ---- By mean…') |
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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 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. | ||
---- | ---- | ||
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: | ||
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If one does not set {{TAG|NGYROMAG}} in the {{FILE|INCAR}} file, VASP assumes a factor of 1 for each species. | If one does not set {{TAG|NGYROMAG}} in the {{FILE|INCAR}} file, VASP assumes a factor of 1 for each species. | ||
== Related | == Related tags and articles == | ||
{{TAG|LHYPERFINE}} | {{TAG|LHYPERFINE}} | ||
{{sc|NGYROMAG|Examples|Examples that use this tag}} | |||
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[[Category:INCAR]] | [[Category:INCAR tag]][[Category:NMR]][[Category:Chemical shifts]][[Category:Electric-field gradient]] | ||
Latest revision as of 14:23, 19 July 2022
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.