Hi everyone,
When I do some DOS calculations, the number of data lines in DOSCAR is always 301. When I want to plot the DOS over a long energy range the plots can get a bit coarse and spiky. Is there any way to increase NDOS? Just setting NDOS = 2000 and making EMAX greater than EMIN in the INCAR file doesn't help. Is there any reason why NDOS is set to a relativly small value, will a larger value degrade calculation performance?
Thanks for any help.
greets,
Peter
how to increase NDOS?
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peterklaver
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how to increase NDOS?
Last edited by peterklaver on Tue Aug 09, 2005 12:36 pm, edited 1 time in total.
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Brane
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how to increase NDOS?
set NEDOS= # as u wish, say 1001 in INCAR
Last edited by Brane on Wed Aug 10, 2005 12:07 pm, edited 1 time in total.
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peterklaver
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how to increase NDOS?
Thanks Brane, in the section on the DOSCAR file it mentions NDOS, not NEDOS, but now that I look at other parts of the guide I see you are quite correct. Thanks again, this certainly is helpful to me.
Last edited by peterklaver on Wed Aug 10, 2005 12:21 pm, edited 1 time in total.