Total DOS zero with dosanalyze.pl

Vasp transition state theory tools

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antonio
Posts: 1
Joined: Sun Jul 08, 2012 6:05 pm

Total DOS zero with dosanalyze.pl

Post by antonio »

Hi,
I'm using vasp.5.2.11. I'd like to calculate the center of the d bands for a spin-polarized calculation. I used the split_dos script that generated the DOS0...DOS20 files. When I execute the script dosanalyze.pl I get the following message:

$ dosanalyze.pl
$ Total DOS is zero.

even specifying different energy ranges.
I appreciate any help

Thanks!

Antonio
graeme
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Posts: 2291
Joined: Tue Apr 26, 2005 4:25 am
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Re: Total DOS zero with dosanalyze.pl

Post by graeme »

This may be related to using the LORBIT tag. We need to update our script to parse the extra data, in this case.
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