[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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