[Pw_forum] About PWgui-4.0 and XCrySDen
You need to do right as the error message told you. A longer name for Itcl is [incr Tcl] and it's an extension to the Tcl language. Go to download and install the package. www.activestate.com should be a good place. The standard edition is for free. Dr. Huiqun Zhou @Nanjing University, China - Original Message - From: Fan Yang To: pw_forum at pwscf.org Sent: Saturday, May 31, 2008 10:30 AM Subject: [Pw_forum] About PWgui-4.0 and XCrySDen Dear everyone, I have two questions about the additional tools for espresso-4.0. First is the compilation of PWgui-4.0, namely, when executing ./pwui I got error message: Can't find package Itcl while executing. The second is about XCrySDen, when runing espresso-4.0, it seems that only the initial structure could be displayed, while the subsequent configurations could not be imported. If I use the previous version, espresso-3.2.3, then everything goes well. Does anyone have the same problem? Best Regards, == Fan Yang PH.D Candidate in Electrochemistry College of Chemistry and Molecular Science Wuhan University,430072,Hubei Province,China E-mail:shrek_826 at yahoo.com.cn == -- ___ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080531/6c95e884/attachment.htm
[Pw_forum] About PWgui-4.0 and XCrySDen
Hi, I had encountered the same problem with Xcrysden. It occurs because of change in output format for the latest version. Earlier versions will print only relaxed atomic positions (x, y and z coords), but in 4.0 version the relaxed positions are followed by input parameters specified in input file for relaxing atoms (0 or 1). Hence Xcrysden cannot read these and shows only initial configuration which is in usual format. If you remove extra three no.s in each atomic positions from the output file, it works fine. -Madhura. > Dear everyone, > I have two questions about the additional tools for espresso-4.0. > First is the compilation of PWgui-4.0, namely, when executing ./pwui > I got error message: Can't find package Itcl while executing. >The second is about XCrySDen, when runing espresso-4.0, it seems > that only the initial structure could be displayed, while the subsequent > configurations could not be imported. If I use the previous version, > espresso-3.2.3, then everything goes well. >Does anyone have the same problem? >Best Regards, > > > =Fan Yang > PH.D Candidate in Electrochemistry > College of Chemistry and Molecular Science > Wuhan University,430072,Hubei Province,China > E-mail:shrek_826 at yahoo.com.cn > === > ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Madhura Marathe, PhD student, TSU, JNCASR, Bangalore. India.
[Pw_forum] About PWgui-4.0 and XCrySDen
Dear everyone, I have?two questions about the additional tools?for espresso-4.0. First is the compilation of PWgui-4.0,?namely, when executing ./pwui I?got error message: Can't find package Itcl while executing. ?? The second is about XCrySDen, when runing espresso-4.0, it seems that only the initial structure?could be displayed,?while the subsequent configurations could not be imported.?If I use the?previous version, espresso-3.2.3, then everything?goes well. ?? Does anyone?have the?same problem? ?? Best Regards, ? == Fan Yang PH.D Candidate?in Electrochemistry? College of Chemistry and Molecular Science??? Wuhan University,430072,Hubei Province,China? E-mail:shrek_826 at yahoo.com.cn == -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080531/92ad4b0e/attachment.htm
[Pw_forum] About PWgui-4.0 and XCrySDen
On Sat, May 31, 2008 04:30, Fan Yang wrote: > Dear everyone, > I have two questions about the additional tools for espresso-4.0. > First is the compilation of PWgui-4.0, namely, when executing ./pwui > I got error message: Can't find package Itcl while executing. You have to install itcl and iwidgets, which are extensions to tcl. You have better stick to you linux distribution's packages, if available. > Does anyone have the same problem? I can't check now, are you using version 1.4 or the latest snapshot? The latter is much more compatible with QE 4.0. regards -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) +39 040 3787 511 http://people.sissa.it/~paulatto/ SISSA Webmail https://webmail.sissa.it/ Powered by SquirrelMail http://www.squirrelmail.org/
