Dear Prof. Blaha and wien2k users, I have a question regarding the value of k-vectors used in wien2k band structure calculation.
I have a Trigonal Unit cell which has a space group 156. The unit cell is given in a=b not equal c (in Hexagonal form). Now, when I do the band structure along M-G-L path, how should I get the values of L, point and M point in Angstorm inverse unit. This would help me to calculate the Rashba coefficient. Any help in this regard would be of immense help to me. Thanking you in advance. With kind regards, Monodeep.
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html