Band structure using HSE functional
Posted: Wed Jan 05, 2011 10:06 am
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
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