[Wien] need help

[Rishi Singh]

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 <kcbhamu85 at gmail.com> 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 <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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>