[CPMD-list] Energy Bands
abdenour sabir
aksabir1 at hotmail.com
Wed Apr 17 15:25:03 CEST 2002
Dear All
I just want to know if it is necessary to run CPMD at a given k-points first
then proceed with the band structure calculation at a chosen line using the
restart file or is there a trick to calculate directly the band structure
without having to use the Chadi-Cohen points.
Regards
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