[Wien] Failed SCF calculation in the 1st iteration using 12.1 version of the WIEN2K

[yedu kondalu]

Dear Prof. Blaha,

   I have checked case.scf1 and case.output1 and observed that no eigen
values printed in case.scf1 after LAPW1 END and WARPING = NaN instead of a
finite value in case.output1, which leads to fail the job without
performing LAPW2 step in the first iteration.  How to rectify this problem
?

I didn't face this problem very few cases but most of the cases (about 15
compounds) I come across this problem.

In the previous mail the matrix size is same in two versions of the WIEN2k,
its a typo error when I copied from the terminal (sorry for the typo
error).

Thanking you sir,


   Regards
Yedukondalu
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