[Wien] Problem Regarding SLATER Calculations

apande at iitk.ac.in apande at iitk.ac.in
Tue Jun 27 11:30:14 CEST 2017


Dear Wien2k users

The modified case.in0 file looks like:

TOT VX_SLATER  (XC_LDA,VC_PBESOL,XC_WC,XC_MBJ,XC_REVTPSS)
NR2V      IFFT    (R2V)
   36  36  36  2.0  1   min IFFT-parameters,enhancement factor,iprint

With Regards
Aditya Pande



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