estimating the relaxation time from
first principles is a hard problem. - David
-Original Message-
From: wien-bounces at zeus.theochem.tuwien.ac.at
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Malgorzata
Bukala
Sent: Thursday, October 06, 2011 10:32 AM
To: wien
Dear users of Wien2k,
I have a question about BoltzTraP code.
In this program to simplify the Boltzmann equation the relaxation time
approximation is adopted and relaxation time is kept constant. But what is the
value of this parameter?
Margo
-- next part --
An HTML
Von: wien-bounces at zeus.theochem.tuwien.ac.at
[wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von
quot;Malgorzata Bukala [bukala at ifpan.edu.pl]
Gesendet: Freitag, 23. September 2011 15:32
Bis: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Fw: BoltzTraP - case.intrans
Dear users of Wien2k,
I have a question about one of the input files of BoltzTraP code , namely
case.intrans. According to user guide of this program, there are to two schemes
to obtain DOS: HISTO/TETRA (histogram/thetrahedron sampling). I want to do my
calculations with TETRA scheme. But
of CALC? I think if
NOCALC is specified, it looks to case.engre for the expansion coefficients.
Greg
2011/7/19 Malgorzata Bukala bukala at ifpan.edu.pl
Dear users of Wien2k,
I was going to use BoltzTraP code to study the transport properties. User
guide of this program says
5 matches
Mail list logo