Dear Pieremanuele Canepa, Thank you for developing such a convenient tool for us.
The second one, J-ICE, could read and display thegeometry from SCF job and geometry optimization tasks of Quantum-Espresso very well. But there is something wrong with the first one, Jmol. It only could directly read .xyz files not the .out files as J-ICE do. I still wonder whether you have a plan to make your tools read geometry from output files of NEB calculation. thank you again for your wonderful and convenient program. Best 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 <mailto:pc229 at kent.ac.uk> > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://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 *************************************************************** -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110222/0a717a86/attachment.htm
