Dear Wien2k users,
I want to calculate band gap using LB94 potential. As it is a potential
only and no energy expression available for this potential. So would you
please tell me what is the procedure to use this potential after PBE
calculation ??
with regards,
Subrata Jana
Hi every one, I am interested to find out the phonon dispersion and the
lattice thermal conductivity using WIEN2k. I have used phonopy code to
calculate the dispersion curve but too many errors have been
encountered.Even if I am successful in getting the dispersion curve how can
I get the lattice
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