[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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