[Pw_forum] Pseudo_Generation/unknown pseudo error

[nazari at iasbs.ac.ir]

 Dear All,

 Here is the input
/
&input
        title='F',
        zed=9.0,
        rel=0,
        beta=0.5,
        rlderiv=2.0,
        eminld=-4.0,
        emaxld=4.0,
        deld=0.02d0,
        nld=4,
        iswitch=3,
        dft='BLYP',
 /
4
1S  1  0  2.0  1
2S  2  0  2.0  1
2P  2  1  5.0  1
3D  3  2 -1.0  1
 &inputp
   pseudotype=3,
   lloc=2,
   file_pseudopw='FBLYP.VAN_AK',
 /
5
2S  1  0  2.00  0.00  1.10  1.70
2S  1  0  0.00  0.05  1.10  1.70
2P  2  1  5.00  0.00  1.10  1.70
2P  2  1  0.00  0.05  1.10  1.70
3D  3  2 -2.00  0.15  1.50  1.50

regards
fariba nazari
IASBS

> On Tue, November 20, 2007 18:25, nazari at iasbs.ac.ir wrote:
>> I face with unknown pseudo potential error.
>
> There are many things that can go wrong; conflicting input directive may
> result in quite obscure error messages. Anyway if you provide the error
> message, or the input file, it is more likely than someone will be able to
> solve you problem.
>
> Another hint is to have a look in atomic_doc/pseudo_library/ where you can
> find many examples of working input files.
>
> goodbye
>
> --
> Lorenzo Paulatto
> +39 040 3787 511
> http://people.sissa.it/~paulatto/
>
>
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