[Pw_forum] error with PP testing

Zarah Baiyee z.baiyee at gmail.com
Tue Apr 8 06:51:21 CEST 2014

Dear All,

I am testing an PP for oxygen in the 2+ oxidation state, please see the
input below:

   configts(1)='2s2 2p4'
   configts(2)='2s2 2p5'
   configts(3)='2s2 2p6'

the output is fine for the first two configurations however for
configuration 3, I have an error:

     Error in routine compute_phius (1):
     problems with find_qi

Please may you shed some light on what this error is associated with.

Thank you for your continued support,

Kind Regards

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