IBZKPT: Difference between revisions
(Created page with "The {{TAG|IBZKPT}} file is compatible with the {{TAG|KPOINTS}} file and is generated if the automatic k-mesh generation is selected in the {{TAG|KPOINTS}} file. {{TAG|IBZKPT}...") |
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The {{TAG|IBZKPT}} file is compatible with the {{TAG|KPOINTS}} file and is generated if the automatic k-mesh generation is selected in the {{TAG|KPOINTS}} file. {{TAG|IBZKPT}} contains the k-point coordinates and weights (and if the tetrahedron method was selected additional tetrahedron connection tables are used) in the "Entering all k-points explicitly" format used for providing k-points "by hand". This file can also be generated with the external tool, '' | The {{TAG|IBZKPT}} file is compatible with the {{TAG|KPOINTS}} file and is generated if the automatic k-mesh generation is selected in the {{TAG|KPOINTS}} file. {{TAG|IBZKPT}} contains the k-point coordinates and weights (and if the tetrahedron method was selected additional tetrahedron connection tables are used) in the "Entering all k-points explicitly" format used for providing k-points "by hand". This file can also be generated with the external tool, ''kpoints''. | ||
{{TAG|IBZKPT}} maybe copied to {{TAG|KPOINTS}} to save time, if one {{TAG|KPOINTS}} set is used several times. | {{TAG|IBZKPT}} maybe copied to {{TAG|KPOINTS}} to save time, if one {{TAG|KPOINTS}} set is used several times. | ||
Revision as of 09:41, 23 January 2017
The IBZKPT file is compatible with the KPOINTS file and is generated if the automatic k-mesh generation is selected in the KPOINTS file. IBZKPT contains the k-point coordinates and weights (and if the tetrahedron method was selected additional tetrahedron connection tables are used) in the "Entering all k-points explicitly" format used for providing k-points "by hand". This file can also be generated with the external tool, kpoints.
IBZKPT maybe copied to KPOINTS to save time, if one KPOINTS set is used several times.