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 plot?
Thanking you With regards *Madhurya Chandel* *Research Scholar * *Department of Chemistry * *BITS PILANI, GOA campus* *+91-7507546773*
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