Dear Prof. Blaha, As per your suggestion, I am able to run the k-point parallel calculation.
But in case of large systems, about 100 atoms, can I use this technique (with how many k-points?)? rgds, -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120730/3f9e44f5/attachment.htm>
