[Pw_forum] Ce PP generation

[wilson chan]

Dear users and developers,

I'm having difficulty in generating the ultrasoft pseudopential of Ce, with
the 5s5p semicores, etc., using the generation code in atomic. Can anyone
help me out please? I attach my input file here, in which lots of parameters
probably are not correct, due to my lacking knowledge. Please correct me,
and thanks in advance.

 &input
        title='Ce',
        zed=58.0,
        iswitch=3,
        nld=5,
        rlderiv=3.20,
        eminld=-4.0,
        emaxld=4.0,
        deld=0.02,
        rel=1,
        config='[Xe] 4f1 5d1 6s2 6p-1',
        dft='PBE'
 /
 &inputp
        pseudotype=3,
        lloc=1,
        file_pseudopw='Ce.UPF',
        nlcc=.true.,
        rcloc=3.2
 /
6
4F  4  3  1.00  0.00  3.2   3.2
5D  3  2  1.00  0.00  3.2   3.2
5S  1  0  2.00  0.00  1.0   3.2
5P  2  1  6.00  0.00  1.0   3.2
6S  2  0  2.00  0.00  3.2   3.2
6P  3  1 -1.00  0.15  3.2   3.2

Yours, wilson
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