On Fri, 2011-05-27 at 15:50 +0530, Sanjeev Gupta wrote: > Herewith, I am putting my input file, here again i am getting pressure > too large as compare in ABINIT. > Kindly suggest me, why i am getting large pressure.
do you get the same results with the same psedupotentials? You should. If you don't, you should first understand why P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
