Dear Yavar, take a look at the following link of a post from Paolo:
http://www.democritos.it/pipermail/pw_forum/2007-January/005694.html mahmoud -----Original Message----- From: yavar pour azar <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Date: Mon, 17 Sep 2012 11:58:29 +0430 Subject: [Pw_forum] How to calculate the adsorption energy of ion (charged particle) on the surface of semiconductor? Dear QE users I want to calculate adsorption energy and structural parameters for the adsorption of some ions on the surface of semiconductor, is this similar to calculation of neutral particle or other procedure is required? I would be appreciate if anyone refer me to detailed reference to do this. Thanks in advance ----------------------------------------- Yavar Taghipour Azar Physics Group, AEOI Tehran, Iran -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120923/3b11f099/attachment.htm
