Dear yan, I have searched the readme file under the /espresso-4.0.3/example/ with the keyword 'dynmat.x'. but nothing found. could you please tell me which example told us how to calculate IR spectrum?
thank you vega On Mon, Mar 16, 2009 at 8:55 PM, Yan <pemryan at yahoo.cn> wrote: > Hello Vega, > > > I suppose you have read the manual. > Besides the files in the folder 'doc', there are some examples in the > folder 'examples'. > > > cheers, > > > Yan > > > On 2009/3/16 Monday 20:28:22 vega lew wrote: > > > > I found a lot of executive files in /espresso-4.0.3/bin/ folder. But I > > can't find instructions for some of them, such as dynmat.x. > > > > by the way, is there any tutorial or example to instruct how to plot IR > > spectrum ? > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- ================================================================================== Vega Lew ( weijia liu) PH.D Candidate in Chemical Engineering State Key Laboratory of Materials-oriented Chemical Engineering College of Chemistry and Chemical Engineering Nanjing University of Technology, 210009, Nanjing, Jiangsu, China ****************************************************************************************************************** Email: vegalew at gmail.com Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing, Jiangsu, China ****************************************************************************************************************** -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090316/453ec1fc/attachment.htm
