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

yedu kondalu nykondalu at gmail.com
Tue Oct 2 12:48:15 CEST 2012


Dear Prof. Stefaan Cottenier,*

        *Thank you vey much for checking my input files. We have used FFTW3
for fftwpack library and the problem for NANs for the WARPING are solved. I
checked for TiC also all the calculations are running fine.

Thanking you sir.

   Regards
Yedukondalu
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