[Pw_forum] Problem while generating pseudopotential

Padmaja Patnaik padmaja_patnaik at yahoo.co.uk
Wed Jun 15 20:15:48 CEST 2011


Hi All

I am trying to generate fully relativistic pseudopotential for Cr. It runs gives the output, but following message is printed repeatedly. 
 WARNING! Expected number of nodes:   0=     1-  0-  1, number of nodes found:  4.
       Setting wfc to zero for this iteration.
       (This warning will only be printed once per wavefunction)

       Zero norm: self consistency problem; state:  1 (l=  0, j=0.5)
       Zero norm: self consistency problem; state:  2 (l=  1, j=0.5)
       Zero norm: self consistency problem; state:  3 (l=  1, j=1.5)
       Zero norm: self consistency problem; state:  4 (l=  0, j=0.5)
       Zero norm: self consistency problem; state:  1 (l=  0, j=0.5)
       Zero norm: self consistency problem; state:  2 (l=  1, j=0.5)
       Zero norm: self consistency problem; state:  3 (l=  1, j=1.5)
       Zero norm: self consistency problem; state:  4 (l=  0, j=0.5)
       Zero norm: self consistency problem; state:  1 (l=  0, j=0.5)
       Zero norm: self consistency problem; state:  2 (l=  1, j=0.5)
       Zero norm: self consistency problem; state:  3 (l=  1, j=1.5)
       Zero norm: self consistency problem; state:  4 (l=  0, j=0.5)
       Zero norm: self consistency problem; state:  1 (l=  0, j=0.5)
       Zero norm: self consistency problem; state:  2 (l=  1, j=0.5)
       Zero norm: self consistency problem; state:  3 (l=  1, j=1.5)
       Zero norm: self consistency problem; state:  4 (l=  0, j=0.5)
       Zero norm: self consistency problem; state:  1 (l=  0, j=0.5)
       Zero norm: self consistency problem; state:  2 (l=  1, j=0.5)

While searching I learned  that even if this message is displayed and the self-consistency is achieved that means there is no problem. The pseudopotential plot is also found to be incorrect. What can I do now? 
Padmaja Patnaik

Research Scholar

Dept of Physics

IIT Bombay

Mumbai, India
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