[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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