[Wien] Klist for tetragonal structure

Maria Reza maria_reza at hotmail.com
Wed Jul 2 12:46:28 CEST 2003


Dear wien user;
I'm a novice wien user. I have to draw the band structure for some materials 
with diffrent crystall structure. It was succesful for the cubic and 
hexagonal ones and comparable to those I done with LMTO method. However, for 
tetragonal structure, I didn't found a klist file that contain the high 
symetry points, I tries to prepare one manualy, but the result was very 
diffrent from my previous work. I expect that the error come from a bad 
klist file...
if any one has already succefully obtain band structure for tetragonal 
structure, please can you share your klist file to help me saving time and 
energy!

Thanks

Dr. Reza Maria

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