Re: [Wien] BoltzTrap2 with hf potential

The hf has not been implement yet for BoltzTraP2. You would have to program your own python interface for it, refer to [1] on how a new DFT interface can be added. Unless it has changed recently, BoltzTraP2 only accepts serial calculations for non-spin polarized or spin orbit WIEN2k calculati

[Wien] BoltzTrap2 with hf potential

Sir, I am using latest version of WIEN2k. I want to know that how can we run boltztrap2 by using hf potential? Regards Peeyush Kumar Kamlesh ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEA