Thank you very much Prof Gavin Abo for nice explanation.
Now, I got it.
Bhamu
On Fri, Sep 4, 2015 at 1:53 AM, Gavin Abo wrote:
> See comments below:
>
> *For TiC* (I already posted this query few month ago and got a quick
> reply from Prof. Marks)
>
> http://www.mail-archive.com/wien%40zeus.th
See comments below:
*For TiC* (I already posted this query few month ago and got a quick
reply from Prof. Marks)
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12624.html
Reply from Prom Marks was
"You do not have a problem! The charge convergence is very sensitive
to nume
Hello Wien community
Previously I attacked directly on some complex calculations and got some
errors. So I started from beginning and tried to reproduce the results
given in UG for Ni and TiC.
I am using lates version of Wien2k on Lenovo leptop 4GB ram ifort compiler.
I fellowed strictly process
3 matches
Mail list logo