[Wien] SCF stops here, for why?
Peter Blaha
pblaha at zeus.theochem.tuwien.ac.at
Thu Feb 24 08:35:21 CET 2005
> I just installed the wien2k-05, initializion is so good.
> but after lapw0, scf stops for such error:
>
> 'INILPW' - can't open unit: 10
> 'INILPW' - filename: tmp/tic.vector
> 'INILPW' - status: unknown form: unformatted
> 'LAPW1' - INILPW aborted unsuccessfully.
>
>
> please tell me why? thanks
You defined a SCRATCH variable as tmp/
and this is not correct, because you do not have a tmp directory (but
most likely a /tmp ?)
Edit your .bashrc (or .cshrc) file and put a proper directory for SCRATCH
(if you want it to be in your case directory specify SCRATCH as ./
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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