Dear Vega, use the developer version.
You right about the error in the first geometry. I will fix it. if you want NEB implemented in Jmol send me some outputs. all the best, Piero On Tue, Feb 22, 2011 at 3:23 AM, P.Canepa <pc229 at kent.ac.uk> wrote: > > ------------------------------------------- > From: pw_forum-bounces at pwscf.org on behalf of vega lew[ > SMTP:QUANTUMDFT at GMAIL.COM] > Sent: Tuesday, February 22, 2011 3:22:52 AM > To: PWSCF Forum > Subject: Re: [Pw_forum] Jmol and J-ICE can deal with quantumEspresso > Auto forwarded by a Rule I find the Jmol program inside the J-ICE folder > could directly read the output file from Q-E. > > However, the program (Jmol-12.0.33-binary) downloaded from > http://jmol.sourceforge.net/ did not. > > > vega > > On 02/21/11 21:37, pieremanuele canepa wrote: > > Dear QuantumEspresso users, > > I am glad to announce you that Jmol(http://jmol.sourceforge.net/) as well > my personal Jmol (interface: J-ICE (http://j-ice.sourceforge.net/) > can read quantumESPRESSO outputs. > > Now we can read simple geometry from SCF job and geometry optimization > tasks. The phonon part is still work in progress. > As a Jmol developer (and quanumEspresso users) I kindly ask you to provide > me more phonon tests you might have > (not those available in the example folder). > > Bests, Piero > > -- > *Please consider the environment before printing this e-mail.* > > Pieremanuele Canepa > Room 104 > Functional Material Group > School of Physical Sciences, Ingram Building, > University of Kent, Canterbury, Kent, > CT2 7NH > United Kingdom > > e-mail: pc229 at kent.ac.uk > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.orghttp://www.democritos.it/mailman/listinfo/pw_forum > > > -- > > ================================================ > Vega Lew ( weijia liu) > Graduate student > State Key Laboratory of Materials-oriented Chemical Engineering > Nanjing University of Technology, 210009, Nanjing, China > *************************************************************** > Email: vegalew at gmail.com > Office: Room A705, Technical Innovation Building, > Xinmofan Road 5#, Nanjing, China > *************************************************************** > -- *Please consider the environment before printing this e-mail.* ** Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc229 at kent.ac.uk mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110222/612c3e20/attachment.htm
