Dear all I want to put different partial charge to all atoms in scf and phonon calculations. Can anybody tell me how I can do it in Quantum espresso? scincerely yours. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140113/8ef717fa/attachment.html
- [Pw_forum] Partial Charge on atoms N S
- [Pw_forum] Partial Charge on atoms Giuseppe Mattioli
