Hi there,
I'm trying to calculate a good Electron DOS. DOS information is in DOSCAR, however, it only has 301 points. I usually plot it with 1000 points or higher. Is there an option to increase this?
<span class='smallblacktext'>[ Edited ]</span>
Increase number of K points in DOSCAR
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jdzbox
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Increase number of K points in DOSCAR
Last edited by jdzbox on Sat Jun 19, 2010 12:08 pm, edited 1 time in total.
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forsdan
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Increase number of K points in DOSCAR
The NEDOS tag sets the number of grid points in DOS. By default this is set to 301. Please set NEDOS = 1000 in your INCAR file if you want to have 1000 grid points.
However, please notice that this has nothing to do with the number of k-points as your titel implies. The number of k-points is set in the KPOINTS file. To get a high quality DOS you usually have to have a fine k-point grid.
Cheers,
/Dan
<span class='smallblacktext'>[ Edited Sat Jun 19 2010, 05:44PM ]</span>
However, please notice that this has nothing to do with the number of k-points as your titel implies. The number of k-points is set in the KPOINTS file. To get a high quality DOS you usually have to have a fine k-point grid.
Cheers,
/Dan
<span class='smallblacktext'>[ Edited Sat Jun 19 2010, 05:44PM ]</span>
Last edited by forsdan on Sat Jun 19, 2010 3:43 pm, edited 1 time in total.