Dear Rishi I dont know about below input but at the top: 0.38314 (it if fermi energy from case.scf) 0.0005 (unchanged) 1.0 (unchanged) 120.0 (number of valence electrons from case.scf file)
Sincerely Bhamu ------------------------------------------------ Dr. K. C. Bhamu (UGC-Dr. D. S. Kothari Postdoc Fellow) Department of Physics Goa University, Goa-403 206 India Mob. No. +91-9975238952 On Mon, Apr 25, 2016 at 11:49 PM, Rishi Singh <rishising...@gmail.com> wrote: > Dear wien users > > I am interested to calculate the transport properties using BoltzTrap > via wien2k. > I installed Bolztrap successfully. When we run it in a folder we need > some values (given below) for a file named case.intrans which is > necessary. Plz help me by telling that from which files we Can find > these values. these values are mentioned in above file as > : > 0.38314 0.0005 1.0 120.0 # Fermilevel (Ry), energygrid, energy > span around Fermilevel, number of electrons > > > 5 # lpfac, number of latt-points per k-point > > > .15 # (efcut) energy range of chemical potential > > > -1. # energyrange of bands given individual DOS > output sig_xxx and dos_xxx (xxx is band number) > > I will be highly obliged and thanks in advance. > > Kind regard > Dr R P Singh > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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