[CPMD-list] cpmd2cube

[Ari.P.Seitsonen at iki.fi]

Dear Zak,

> I have recently compiled cpmd2cube sucessfully, however I cannot get
> it to process any files succesfully.

Could you please be a bit more specific; what went wrong, what is the
output, which options did you give to the code? (-double) If you ran
on linux/PGI compiler, did you use more or less the same options for
the compiler, i.e. no exchange of the bytes etc?

> Does any one have a working examples of input/output files for cpmd
> with which they have used with cpmd2cube ?

Since the input is in general binary, one has to be careful with such
a trial (e.g. see above about the linux/PGI/byte order).

  Alas, if you could provide a bit more insight to what you did we
might be able to help you.

    Yours,

       apsi

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