IBZKPT: Difference between revisions

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(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, ''> kpoints''.
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.
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[[The_VASP_Manual|Contents]]
[[Category:Files]][[Category:Output Files]]
 
[[Category:VASP]][[Category:Files]]

Latest revision as of 15:14, 22 February 2019

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.