[Pw_forum] Query on band crossing
Ajit Vallabhaneni
avallabh at purdue.edu
Fri Apr 13 10:25:25 CEST 2012
Dr. Marzari,
I have a question regarding the order of the bands in the scf and elph calculations. In the scf output, the energies at every K point
are arranged from lowest to highest. I want to know if that order holds true in el-ph calculations as well. Like in elphon.f90 file, the variables ibnd,jbnd vary from 1 to nbnd; do they have the same increasing order as in the scf ?
Thanks
Ajit
More information about the users
mailing list