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
