[Wien] dstart

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Jun 15 08:29:15 CEST 2011


> When I try to run the following structure appears the error: Could someone
> help me

Not really!

Did you READ the error mesage ???

You should understand that you are missing a file ...

does it exist ?

ls -als *.in*

check the list. Most likely you may find various teste.in* files, but not
teste.in2 or teste.in2c

The struct file you attached is incomplete. It does not contain symmetry operations.

Did you use    w2web to generate the structure ???

Did you run    init_lapw   (WITHOUT previous error messages ?????)


>
>
>
> 'DSTART' - can't open unit: 15
>   'DSTART' -        filename: teste.in2c
>   'DSTART' -          status: old          form: formatted
>
>
>
> Annex
>
>
>
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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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