[Wien] need help

[Dr. K. C. Bhamu]

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 <rishisingh79 at 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
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