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
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deak
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DOS/PDOS with HSE
Last edited by deak on Sun May 06, 2012 9:03 pm, edited 1 time in total.
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admin
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DOS/PDOS with HSE
please choose LORBIT >=10, NPAR=1 is only needed if the projectors are calculated within the vasp-run itself
Last edited by admin on Tue May 22, 2012 5:46 pm, edited 1 time in total.