[Pw_forum] Pseudopotential generation problem

[yumin qian]

 &input
     title='self generation of pseudopotential'
     atom='Sr',
     iswitch=3,
     dft='PZ',
     nld=3,
     rlderiv=2.5
     eminld=-2.0,
     emaxld=2.0,
     deld=0.05,
     config='[Kr] 4p6 5s2 '
/
 &inputp
     lloc=0,
     pseudotype =3
     nlcc=.true.
     file_pseudopw='38.Sr-LDA-nlcc-uspp-TM.UPF',
     tm=.true.
/
2
4P   4  1    6.00  1.0  2.1  2.4
5S   5  0    2.00  0.0  2.4  2.4
 &test
    pseudotype=3,
    nconf=1,
    configts(1)='4p6 5s2 '
/
4P   4  1    6.00  1.0  2.1  2.4
5S   5  0    2.00  0.0  2.4  2.4


but it crashed with output

     from el_config : error #         9
     wavefunction 4P found too many times

then I remove the line
4P   4  1    6.00  1.0  2.1  2.4

it still have problems

--      from ld1_readin : error #         1
     unbound states must be empty


1  I do know how to generate pseudopotential properly  and is there any
detailled reference or examples about the usage of of the code atomic ?
2  We often use the optimal lattice parameter and the bulk moduli to test
the validity of generated psedopotential , is it save to say ,The more
acurrate of  calculated lattice parameter and bulk moduli compared with
experiment the better of pseudopotential.?
 3 How to test the validity of pseudopotential of liquid elements like Hg,or
gas  such as N and O

Sincerely Y. M. Qian
Lab.of Condensed Matter Theory and Materials Computation
Institute of Physics
Chinese Academy of Sciences
Tel:  + 8610 8264 9147
E-Mail:yuminqian at gmail.com <E-Mail%3Ayuminqian at gmail.com>
P.O.Box 603   Beijing 100190
China
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