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DOS/PDOS with HSE

Posted: Sun May 06, 2012 9:03 pm
by deak
When trying to get DOS and PDOS from a HSE calculation, I get the message: DOS, PDOS is not evaluated fro NPAR =/1, try NPAR = 1.
If I try NPAR = 1, I get: HSE cannot be run with NPAR = 1.
Is there a way out?

While at DOS/PDOS: is there a way to control the broadening applied in calculating them?

Peter

DOS/PDOS with HSE

Posted: Tue May 22, 2012 5:46 pm
by admin
please choose LORBIT >=10, NPAR=1 is only needed if the projectors are calculated within the vasp-run itself