how to get the spin polarization and about the caculation result of DOS

Posted on : December 31, 2010 (Fri) 11:43:42

by studyphy

I have calculated the bandstructure and DOS of Co2FeAl, and I have several questions.
1, how to get the spin polarization from the calculation result.
2 about the calculation result of DOS, there are several columns for a certain element, what does every column stand for.
3 about the input file, for A2 type full heuslar like Co2Cr(1-x)FeXAl, how is the input file like for bandstructure calculation???

I am looking forward for your reply!

Thank you very much!!!

[Re:11] how to get the spin polarization and about the caculation result of DOS

Posted on : September 14, 2011 (Wed) 11:46:37

by zhenxinfly

I have the same problem. The calculated Bloch function is not spin-resolved. Hope for the answer, thanks very much