[Wien] opticcpara crashed for mstar

[Rubel, Oleg]

Dear Bhamu,

mstar gets k points from case.mommat2[up/dn] file. It is create by OPTIC. The OPTIC, in turn, gets k points from vector files. Thus you need to have right k points in the vector files.

The procedure described in https://github.com/rubel75/mstar/wiki/Tutorial-Si-with-SOC-(WIEN2k) has a part

# WFs and eigenvalues with increased band range
x lapw1
x lapwso

This will use case.klist (not case.klist_band) to generate vector files at LAPW1 step. Then it propagates to LAPWSO and OPTIC.
If you want k points from case.klist_band, we need to generate vector files with (-band) option in LAPW1

# WFs and eigenvalues with increased band range
x lapw1 -band
x lapwso

There are not other changes in the workflow. Then k points from case.klist_band propagate into LAPWSO, OPTIC, and mstar eventually.

Best regards
Oleg