>DFT-Cohesive energy is decided by the functional and the >pseudo-potential. >If the pseudo-potential and the functional predict correctly the >ground >state of isolated atom and the bulk, we usually get less than >10% error.
@udai thanks for posting the question @duy thanks for giving an insight into the issue. my question is what are the other parameters/tests other from cohesive energy calculations that can be used to estimate the validity of a pseudopotential as i want to generate one for Gadolinium sincerely, sreekar guddeti BTech + MTech Dept. Physics IIT Bombay India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090920/58a97aa7/attachment.htm
