[Pw_forum] Selection of K point for band structure calculation
madhurya.svnit at gmail.com
Sat Oct 21 12:59:43 CEST 2017
Respected QE Users
1)I have a doubt that how to choose the number of K point for band
structure calculation using Xcysden K path selection?
2) while doing the band structure calculation how to chose Fermi energy (=
eV), deltaE and reference energy? Do these values affect the band structure
*Research Scholar *
*Department of Chemistry *
*BITS PILANI, GOA campus*
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