[Pw_forum] Norm-conserving semi-core pseudopotential generation error
Fen Hong
gm030212 at gmail.com
Tue Jun 21 02:45:21 CEST 2011
Thank you very much, But there is still something wrong.
another error showed "
Computing logarithmic derivative in 1.49590
WARNING! Expected number of nodes: 0= 2- 1- 1, number of
nodes found: 1.
Setting wfc to zero for this iteration.
(This warning will only be printed once per wavefunction)
WARNING! Expected number of nodes: 0= 3- 2- 1, number of
nodes found: 1.
Setting wfc to zero for this iteration.
(This warning will only be printed once per wavefunction)
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from run_pseudo : error # 1
Errors in PS-KS equation
"
On the Pw_forum list, there is such kind of error, the answer is "The
pseudization radii shouldn't differ too much either"
The radii I used is similar, and it still not correct.
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