[Pw_forum] Errors in PS-PK equation

[黄志硕]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170721/7da88665/attachment.html>