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
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vidyar
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Band structure using HSE functional
Last edited by vidyar on Wed Jan 05, 2011 10:06 am, edited 1 time in total.
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zoowe
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Band structure using HSE functional
Search in this forum for the question posted by me and admin has posted the instruction how to do band structure with HSE functional
Last edited by zoowe on Sat Jan 08, 2011 6:37 pm, edited 1 time in total.