[Wien] opticcpara crashed for mstar

Rubel, Oleg rubelo at mcmaster.ca
Thu Mar 4 18:21:18 CET 2021


Oh, sorry about the misunderstanding. In your previous correspondence it sounded as you had a confusion about which klist file is used.

> In my case the CBM/CMB is at N-point which is located at 622 row number in case.klist_band. But I have only 20 K-points in my case.klist and thus the total KP in mstar output file is also 20.

To get band edges, I would check an eigenvalues file to identify band number XX, k point number YY, occupancy. Then look for a line "# KP: YY" and band XX below that in the output of mstar.

I hope it answers the question
Oleg


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