Dear PWscf users,
I am trying to generate an ionized PP for Cs, and the input file is like below:
###################################################
&input
iswitch=3,
rlderiv=1.8,
eminld=-8.0,
emaxld=1.0,
deld=0.01d0,
nld=5,
rel=1,
zed=55.0,
config="[Kr] 4d10 5s2 5p6 6s0 5d0"
dft='PBE',
/
&inputp
tm=.true.
lloc=2,
nlcc=.true.
pseudotype=1,
file_pseudopw='Cs.pbe-mt_scalar.UPF',
/
3
5P 5 1 6.00 0.00 1.90 1.90
6S 6 0 0.00 0.00 4.20 4.20
5D 5 2 0.00 0.00 3.81 3.81
###################################################
However, it always ran into such an error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine run_pseudo (1):
Errors in PS-KS equation
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I tried using different channel, but it did not work.
Could anyone help?
Best regards
Zhishuo Huang_______________________________________________
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