[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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