[Pw_forum] Plot |psi|^2 for an arbitary k point
Tianshu Li
tsli at ucdavis.edu
Wed Jul 12 21:49:02 CEST 2006
Dear PWSCF users and developers:
In running post-processing pp.x, I got an error message " from
local_dos : error # 1
k must be zero" when calculating |psi|^2 for a non-zero K point.
I've searched the code "local_dos.F90" and find that the non-zero K
point does not seem to be allowed. Since there is a "kpoint" keyword in
the input list, I just wonder if the non-zero K point wavefunction
visualization has not been implemented yet. Thanks
Tianshu Li
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