[Wien] need help
Rishi Singh
rishisingh79 at gmail.com
Mon Apr 25 20:19:48 CEST 2016
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
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