Dear Sadek
For the intrans file you have to use your scf file, from where you have to
take the Fermi energy as well as number of electrons.
rgards
sikander
On Fri, Oct 16, 2015 at 7:42 AM, wrote:
> Dear All,
> I want to use the BoltzTrap to calculate the transport coefficient for
> some compound
ktober 2015 16:42
An: A Mailing list for WIEN2k users
Betreff: [Wien] case.intrans file
Dear All,
I want to use the BoltzTrap to calculate the transport coefficient for
some compounds. So at first I tried to run it for the Bi2Te3 example. In
the Case.intrans, Bi2Te3.intrans, file in the third row w
Dear All,
I want to use the BoltzTrap to calculate the transport coefficient for
some compounds. So at first I tried to run it for the Bi2Te3 example. In
the Case.intrans, Bi2Te3.intrans, file in the third row we have to
insert the number of valence elctrons. I thought that we can get this
number f
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