[CP2K-user] [CP2K:18511] How to plot Density of Sates?
Lenard Carroll
lenardcarroll27 at gmail.com
Fri Mar 3 10:52:22 UTC 2023
Hi there, I would like to know how to calculate the density of states (not
partial density of states) for a Fe(CO)4 complex. Do I just add the
following lines?
&PRINT
&DOS ON
filename ./file.dos
&END DOS
&END PRINT
And once I have the DOS file, how do I plot it?
If the input tags provided above are correct, then find attached the DOS
file I generated. Not sure how to plot this. Is it just Energy vs
Occupation, if so, the plot doesn't really make sense.
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