[Pw_forum] (no subject)
Vi Vo
vovi47 at yahoo.com
Tue Jul 26 01:31:57 CEST 2011
Dear All,
I was doing a test calculation for CuO and got a message:
" WARNING: atomic wfc # 6 for atom type 1 has zero norm
WARNING: atomic wfc # 6 for atom type 2 has zero norm
WARNING: atomic wfc # 2 for atom type 3 has zero norm
WARNING: atomic wfc # 4 for atom type 3 has zero norm
WARNING: atomic wfc # 5 for atom type 3 has zero norm
The norm of the wfc is zero. Why does it happen? Does it depend on the pseudo
potential used? Can a gipaw pp be used with pw.x? (I download the pp from QE
pps).
Thank you very much in advance,
Vi
University of Houston
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