[Wien] Updating and Installing PORT for Structure Optimization

Torsten Andersen thor at physik.uni-kl.de
Fri Jul 30 09:26:38 CEST 2004


Dear Mr. Panda,

It only means that you are starting from a template that has not been 
"updated". What happens if you just choose PORT anyway? I think it 
should work directly.

Best regards,
Torsten Andersen.

krutibas panda wrote:
> Dear Wien2k users,
> 
> I have the WIEN2k_03 wich doesn't have the PORT option. I am trying to 
> update it to include the "PORT".
> 
> I downloaded the WIEN2k_04.tar. I replaced the old SRC_mini with the new 
> SRC_mini and followed the instructions.
> 
> Now i am trying to optimize one of my strucures . In the case.inM file 
> it only shows the
> #(NEWT, BFGS, MOLD, NOSE;  tolf (a4,f5.2)) on the first line.
> 
> I believe if PORT was installed sucessfully then the PORT option should 
> also appear.
> #(PORT, NEWT, BFGS, MOLD, NOSE;  tolf (a4,f5.2))
> 
> Does this mean i haven't sucessfully installed the program "PORT"
> 
> I am just wondering how i should go about installing port. I mean i 
> always have the option of installing the new version. I just want to do 
> the updating.
> 
> thanks in advance for ur suggestions.
> 
> krutibas
> 
> _________________________________________________________________
> Don’t just search. Find. Check out the new MSN Search! 
> http://search.msn.click-url.com/go/onm00200636ave/direct/01/
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/




More information about the Wien mailing list