On Oct 17, 2011, at 9:40 , swapnil chandratre wrote: > Does it mean that instead of improving k points, i need to > improve geometry, or the unit cell dimensions, etc.
it means that you need to improve your understanding of what you are calculating and how P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
