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Band structure using HSE functional

Posted: Wed Jan 05, 2011 10:06 am
by vidyar
Hei,

I am interested to calculate band structure of a semiconductor using hybrid functional. I have earlier used Xmgrace to plot band structure from PBEfunctional. Could anyone kindly tell me how can I obtain EIGENVAL file from HSE functional to plot the band structure using Xmgrace?

Thank you in advance,

Vidya

Band structure using HSE functional

Posted: Sat Jan 08, 2011 6:37 pm
by zoowe
Search in this forum for the question posted by me and admin has posted the instruction how to do band structure with HSE functional