[Columbus] Densav.x utility

Zhen Lu zhl146 at gmail.com
Tue Apr 23 15:02:37 EDT 2013


Does anyone have any experience using the densav.x utility? I want to
average 2-10 nocoef files from converged calculations. I assume I need some
kind of directory structure for this to happen, but the documentation is
sparse. If I simply put the two nocoef files in a directory with what I
believe to be the right formatting:

nentry:2
 fnames(1) : mocoef-t
 fnames(2) : mocoef-q
 factor(1) : 1
 factor(2) : 1

for the densavin, I get an error like this:

 readmo: opening
 x


 bummer (fatal):couldnt open nocoef file                      0


Any help would be much appreciated. Thanks!
-- 
Zhen
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