[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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