[Wien] (no subject)

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Thu Dec 31 20:49:36 CET 2015


Did you select proper directory?
Check on the top whether you are working in current working DIR or old one.
If you are still in old DIR select "change DIR" from left menu and choose
proper DIR.
Hope it will help.

regards








*------------------------------------------------Dr. K. C. Bhamu(UGC-Dr. D.
S. Kothari Postdoc Fellow)Department of PhysicsGoa University, Goa-403
206IndiaMob. No.  +91-9782911977*

On Thu, Dec 31, 2015 at 9:51 PM, mandeep hooda <mandeep103 at gmail.com> wrote:

> Dear Wien2k users
>                              I have constructed supercell of 2 x 2 x 2 for
> TiC in the TiC structure file folder as given in the manual, and made
> change in super structure file and saved. When I tried to run using the
> command init_lapw, it started doing calculations for already solved TiC,
> not for constructed supercell for doping. Then I made a separate folder for
> supercell and tried to run it showed old super clmsum file missing and then
> I copied file from TiC and still it is not working. So please guide me
> properly and tell me step by step procedure for it
>
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160101/71d74fbf/attachment.html>


More information about the Wien mailing list