Thank u Dr Bhamu. I want to know mostly about lower three points.
Kind regard Dr rishi On 4/25/16, Dr. K. C. Bhamu <[email protected]> wrote: > 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 <[email protected]> > 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 >> [email protected] >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/[email protected]/index.html >> > _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
