[Pw_forum] plotrho.x refuses plotting charge !

Paolo Giannozzi giannozz at democritos.it
Fri Aug 17 10:45:09 CEST 2012


On Aug 2, 2012, at 16:43 , Masoud wrote:

> plotrho.x in some cases refuses plotting electron density contour map
> and just plots the black circles showing atom's cores.

this may happen when values for contour lines are out of the range
of values in the file to be plotted

> It is weird since with the same input file on another computer system
> I can get the right map

copy the data file ('A2-p.rho.dat' in your example) from the other
computer, plot it on the computer where you say it doesn't work.
Then see what happens

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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