[Wien] About effective mass in BoltzTraP ?
xin luo
zhongshanluo at yahoo.com.cn
Tue Jun 10 17:07:09 CEST 2008
Dear Georg Madsen:
I want to calculate the effective mass of insulater, the second derivative of the
electron energy. I didn't find any instruction in the user guide of BoltzTraP. Where can i find the calculated effective mass in BoltzTraP?
for example, how to calculated the effective mass at gamma in the Test case: CoSb3
# Ef T [K] N DOS(Ef) S s/t R_H kappa0 c chi
0.43321 50.0000 32.53884458 0.47303390E+03 0.11236149E-05 0.13259595E+21 0.28045809E-09 0.15756624E+15 0.20558762E+01 0.70619908E-08
…… …… …… …… …… ……
where can we find it from the above calculated CoSb3.trace file?
Yours sincerely,
Luo Xin
State Key Laboratory of Optoelectronic Materials and Technologies/Institute
of Optoelectronic and Functional Composite Materials,
School of Physics and Engineering,
Sun Yat-sen University,
Guangzhou, China, 510275
mobile phone:13760890587
---------------------------------
雅虎邮箱,您的终生邮箱!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080610/e13786c2/attachment.html
More information about the Wien
mailing list