My Community

I just found that the total DOS in the DOSCAR seems to be divided by the parameter NSW.

I ran two simulations, one with NSW=4, one with NSW=0; the DOS of one was exactly 1/4th of the DOS of the other. I also tried with NSW=20; there the change was indeed by a factor of 20.

I know that runs with NSW>1 are problematic for calculating the DOS, but I still find this surprising.
Is this intended behaviour?

VASP version is 5.4.4

I attach the input files and the beginning of the DOSCAR (whole file is too large), one set for NSW=4, one for NSW=0.

Dear MBaeker,

it is pointed out at the botton of DOSCAR wiki entry, that the DOS for any relaxation (NSW>0) is useless.

I know. Still, normalizing it by NSW seems weird.