[Wien] Problem Regarding SLATER Calculations

apande at iitk.ac.in apande at iitk.ac.in
Tue Jun 27 11:53:13 CEST 2017


Dear Wien2k users,

The following command was given
run_vnonloc_lapw(-sp)

Then  a SCF cycle menu appeared
the start scf cycle was selected

After 10 cycles the Etest converged to .0001

in the files the case.scf2up was checked to find the Band Gap 10.813eV

With regards
Aditya Pande



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