[Pw_forum] wave function in r mesh and cube format

nazari at iasbs.ac.ir nazari at iasbs.ac.ir
Mon Mar 4 09:39:56 CET 2013




Dear Paolo,
How can I get psi(r) in cube format instead of
psi(r)? 
regards
Fariba

> On Sun, 2013-03-03
at 12:12 +0330, nazari at iasbs.ac.ir wrote: 
> 
>> I nead
wave function in r mesh and cube format. 
>> Where can I start
for obtaining it? 
> 
> pp.x produces |psi(r)|^2 in the
FFT grid, and also in a "cube" 
> file. See
PP/Doc/INPUT_PP.* 
> 
> P. 
> -- 
> Paolo
Giannozzi, IOM-Democritos and University of Udine, Italy 
> 
> 
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