[Wien] klist_band

Bouabdellah AZOUZA b.azouza at gmail.com
Wed Apr 4 23:54:17 CEST 2012


Dear Prof. Blaha, Prof. Laurence and Wien users,
I am working on the elements MgFe “tetragonal structure” and MgFeH3
“perovskite structure”
after i run SCF cycles ,i run band structure but i don't know how
generate the "klist_banb"file
Please help me to solve this problem.
Thank you in advance
Best regards
Bouabdellah azouza
Department of Physics, USTHB Algiers Algeria


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