[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
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------




More information about the Wien mailing list