Does anybody know about ?from calbec : error # 1 size mismatch? I tried to use coulomb potential for H. I simply run for bond length optimization of H2 molecule. But it stops with the above error message after finishng the scf run.
Thanks in advance Ranber -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120625/46ffb508/attachment.htm
