[Wien] wave function
Peter Blaha
pblaha at theochem.tuwien.ac.at
Mon Aug 15 15:05:53 CEST 2005
You can use the switch WFPRI in case.in1 (lapw1) to get this information
in readable form.
However, be aware these are just the linear-combination coefficients of
the plane waves, so I'm not sure this is what you would like to have ?
> Dear Wien users:
> I have question on how to get the information in the binary file of
> case.vector or in other word, how to change the binary file to a general file
> and analyse it.Because I wonder the wave functions of the system and want to
> get more about the components of the wave functions.
>
> Thank you greatly!
> Best regards
>
> Jun
> ----
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P.Blaha
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