[Wien] Basic query like a beginner

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

Re: [Wien] Basic query like a beginner

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

Re: [Wien] Basic query like a beginner

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) > >