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

[yedu kondalu]

Dear Prof. Blaha,

   Thank you vey much your suggestions. We have used FFTW3 for fftwpack
library and the problem for NANs for the WARPING are solved. The
calculations are running fine.

Thanking you sir.

  Regards
Yedukondalu
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