[Wien] LDA+U

[Hem Chandra Kandpal]

Dear Souraya,
I did not reply you in this way, 
Could you please check whether you have already created this inorb file 
from the template. if not you please copy it from template folder and 
change it according to your desire.

Have a nice time


On Thu, 18 Aug 2005, Souraya GOUMRI-SAID wrote:

> Dear hem kandpa,
> 
> 
> I know that evry thing is in the user guide, but sometimes it is not clear and
> obvious to use it, this why the mailing list was created !!!.
> 
> 
> I have run x orb after runing a scf cycle, but I have an error message :
> 
> ERROR IN OPENING UNIT: 5
>         FILENAME: case.inorb                     STATUS: old         
> FORM:formatted
> STOP OPEN FAILED
> 0.0u 0.0s 0:00 0% 0+0k 0+0io 0pf+0w
> 
> Can someone help me to overcome this pb. 
> 
> regards,
> 
> souraya
> 
> 
> --
> Open WebMail Project (http://openwebmail.org)
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>