No subject

The first few lines contain floating point numbers (200!) that
represent the expansion energies of individual atoms (first 100) I
think and local orbital energies (next 100),

after this ...

There follows a line that details the k point containing,
kx, ky, kz, k point id, number of plane waves, number of bands,
weight, [point group]
(the point group may not be specified)

Until the next k point line is the energies for each band at that k
point which is of format,
band id, energy (Rydberg)

Hope that helps,

Brendan

2009/12/14 Peter Blaha <pblaha at theochem.tuwien.ac.at>:
> This file is so DIFFICULT, that a description is not really needed.
> Compare this file with case.output1 and "guess" what these numbers could =
be
> (in particular when the name of the file is "case.energy".
>
> 155220089 schrieb:
>>
>> Dear all,
>>
>>
>> I want to learn =C2=A0detail information about the output file case.ener=
gy. But
>> I can't find it in the wien2k usersguide.
>>
>> Can anybody give me a detail description of case.energy like the example
>> of case.struct in the usersguide.
>>
>>
>>
>>
>>
>> Best wishes!
>>
>> An zhou
>>
>> ------------------------------------------------------------------------
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> --
> -----------------------------------------
> Peter Blaha
> Inst. Materials Chemistry, TU Vienna
> Getreidemarkt 9, A-1060 Vienna, Austria
> Tel: +43-1-5880115671
> Fax: +43-1-5880115698
> email: pblaha at theochem.tuwien.ac.at
> -----------------------------------------
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>