On Sun, 19 Feb 2006, Liping YU wrote: LY> Dear PWSCF users, LY> Does anybody know how to write out electrostatic potential from PWSCF LY> quickly? Thanks!
please have a look at example05 (where the charge density is written out) and then just look up the corresponding plot number in Doc/INPUT_PP. a. LY> liping LY> _______________________________________________ LY> Pw_forum mailing list LY> Pw_forum at pwscf.org LY> http://www.democritos.it/mailman/listinfo/pw_forum LY> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
