[Pw_forum] About *.grd in charge density
Diep Quang Vinh
vdiep at ictp.it
Thu Sep 28 16:51:40 CEST 2006
I would like to ask you something about the post processing in CP.
I have a problem with the format of the output in charge density calculation (version
3.1.1 or before in CLX system in CINECA). I would like to plot the KS state of a given
sytem by declaring, for example, in the input file:
But the code give me the output like "KS_145.xml" and it is in the binary format. On top
of that, if i use the cppp.x to create the charge density of this state, the output is
always in *.grd format. Does anyone know how to plot the *.grd file? Or can you have any
suggestions that i can plot the charge density of a specific KS state by Xcrydens?
Thank you very much in advance.
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