[Pw_forum] anyone meets the problem like this?

Robin H robinshy at gmail.com
Thu Aug 4 11:30:12 CEST 2011


Dear all,anyone who used revPBE to creat PP has meet the warning like this :
     !!!!!!!!!!!!!!!!!!! WARNING !!!!!!!!!!!!!!!!!!!!!!!
     Message from routine ld1_readin:
     US requires at least two energies per channel 4P
     !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

I am anxious to know how to resolve it. Welcome any suggestion.
my input is :
 &input
    title='Zn'
    zed=30.
    rel=1,
    config='[Ar] 3d10.00 4s1.00 4p1.00',
    iswitch=3,
    dft='revPBE'
 /
 &inputp
   lloc=1,
   pseudotype=3,
   tm=.true.,
   file_pseudopw='Zn.revPBE.UPF',
 /
5
3D  3  2  10.00  0.00  1.80  2.00
3D  3  2   0.00  0.05  1.80  2.00
4S  1  0  1.00   0.00  1.80  2.00
4S  1  0  0.00   0.05  1.80  2.00
4P  2  1  1.00   0.00  1.80  2.10
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