LORBIT: Difference between revisions

Revision as of 10:20, 20 March 2017

LORBIT = 0 | 1 | 2 | 5 | 10 | 11 | 12
Default: LORBIT = None

Description: LORBIT, together with an appropriate RWIGS, determines whether the PROCAR or PROOUT files are written.

LORBIT	RWIGS tag	files written
0	required	DOSCAR and PROCAR
1	required	DOSCAR and lm-decomposed PROCAR
2	required	DOSCAR and lm-decomposed PROCAR + phase factors
5	required	DOSCAR and PROOUT
10	ignored	DOSCAR and PROCAR
11	ignored	DOSCAR and lm-decomposed PROCAR
12	ignored	DOSCAR and lm-decomposed PROCAR + phase factors

@@ Line 27: / Line 27: @@
 {{FILE|DOSCAR}}
-== Example Calculations using this Tag ==
+{{sc|LORBIT|Examples|Examples that use this tag}}
-{{TAG|Bandstructure of SrVO3 in GW}}, {{TAG|CO partial DOS}}, {{TAG|Constraining the local magnetic moments}}, {{TAG|Determining the Magnetic Anisotropy}}, {{TAG|Estimation of J magnetic coupling}}, {{TAG|Fcc Si bandstructure}}, {{TAG|Constraining local magnetic moments}}, {{TAG|Fcc Ni}}, {{TAG|Fcc Ni DOS}}, {{TAG|Fcc Ni (revisited)}}, {{TAG|Fcc Ni DOS with hybrid functional}}, {{TAG|Fcc Si DOS}}, {{TAG|Including the Spin-Orbit Coupling}}, {{TAG|Ni 100 surface DOS}}, {{TAG| Ni 100 surface bandstructure}}, {{TAG|NiO}}, {{TAG|NiO GGA+U}}, {{TAG|NiO HSE06}}, {{TAG| NiO LSDA+U}}, {{TAG|Partial DOS of CO on Ni 111 surface}}, {{TAG|Si bandstructure}}, {{TAG|STM of graphene}}, {{TAG|STM of graphite}}
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 [[The_VASP_Manual|Contents]]
 [[Category:INCAR]]