[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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