[Wien] Error in LAPW1

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Nov 21 18:10:22 CET 2013


wrong SCRATCH variable.

open .bashrc   in your home-directory with an editor and change the settings
of the SCRATCH variable to:

export SRCATCH=./

The "." makes the difference.

Am 21.11.2013 17:54, schrieb Farshad Nejadsattari:
> Dear Wien2k developers and users,
>    I am running the SCF cycle for TiC in the user's guide after the initialization is done when I try to run SCF cycle there is no error in LAPW0 but in LAPW1 I receive
> this error:
> Error in LAPW1
>   'INILPW' - can't open unit:  10
>   'INILPW' -        filename: /lapw.vector
>   'INILPW' -          status: unknown      form: unformatted
>   'LAPW1' - INILPW aborted unsuccessfully.
> and also what do you suggest to substitute for the values of for TiC
> FSM
> no HNS
> in1new
> q-limit
> It-number
> Your assistance is truly appreciated.
> Farshad Nejadsattari
>
>
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-- 
-----------------------------------------
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
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