[Pw_forum] Norm-conserving semi-core pseudopotential generation error

[Fen Hong]

Dear Paulatto
Thank you very much.
I paste the whole input now.
 &input
        iswitch=3,

        rlderiv=1.5,
        eminld=-8.0,
        emaxld=5.0,
        deld=0.01d0,
        nld=3,

        rel=1,
        zed=22.0,
        config="[Ne] 3s2 3p6 3d2 4s2 4p-1"
        dft='PBE',
 /
 &inputp
   lloc=1,
   pseudotype=1,
   file_pseudopw='Ti-pbe-semi.UPF',
   zval=12.0,
   tm = .true.
 /
5
3S  1  0  2.00  0.00  2.20  2.20
3P  2  1  6.00  0.00  2.20  2.20
3D  3  2  2.00  0.00  2.20  2.20
4S  1  0  2.00  0.00  2.40  2.40
4P  2  1  0.00 -0.10  2.40  2.40


2011/6/20 Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr>

> In data 20 giugno 2011 alle ore 14:19:11, Fen Hong <gm030212 at gmail.com> ha
> scritto:
> > The input file is
>
> Dear Fen Hong,
> the part of the input you attached is perfectly correct; the error must be
> in the rest of the input.
>
> best regards
>
>
> --
> Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
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