Dear PWscf users, I am thinking about adding a general periodic local potential to my system. I noted that for the specific sawlike potential (tefield), the total energy correction (etotefield) and the force correction (forcefield) are needed in pwscf code. I wonder how to generalize these two terms for a general local potential? Could anyone give me a clue? Thank you!
Best regards Zhang -- ------------------------------------------------------------------ Research Fellow, Dept. of Physics, National Univ. of Singapore 10 Kent Ridge Crescent, Singapore, 119260 Tel: +65 6516 7844 ------------------------------------------------------------------ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090417/1b013146/attachment.htm
