Dear all Why I can not obtain the true band structure? I mean I can not obtain the max of valence and min of conduction bands at K. Why? The band and scf.in are enclosed. I use the path gamma-K-M-gamma and (2/3,1/3,0) for K.
Best Regards Ashkan Shekaari Independent Condensed-Matter Researcher / Programmer Tehran, Iran Tell: +98 933 459 7122 ; +98 921 346 7384 Website: http://fizx.blogfa.com
scf.in
Description: Binary data
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
