On Tue, 22 Jul 2008, T t wrote: TT> dear pwscf users,
dear thierry, TT> has some of you calculated the dielectric function within pwscf? I TT> am struggling with a pb i haven't managed to fix yet, and i hope you TT> will help me. According to the document eps_man.pdf, the dielectric TT> function is calculated as a normal postprocessing that uses the TT> executable epsilon.x and gives in output a file termed epsr(i).dat. TT> In my case, the epsilon.x runs well but doesn't produce any file in TT> output. is there a problem inside the epsilon.x code? How to make it TT> write the outputs on the working directory? since nobody here can read your mind (or that of your computer), please provide example files so that people can try to reproduce your problems. without proof to the contrary, one has to assume that you have made an error in your input(s). cheers, axel. TT> many thanks in advance. TT> Thierry TT> _________________________________________________________________ TT> Condividi i tuoi scatti pi? belli con Raccolta foto di Windows Live! TT> http://get.live.com/photogallery/overview TT> _______________________________________________ TT> Pw_forum mailing list TT> Pw_forum at pwscf.org TT> http://www.democritos.it/mailman/listinfo/pw_forum TT> -- ======================================================================= 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.
