Re: [Wien] Xcrysden problem
I solved this problem for RED HAT; In a terminal I tried to run xcrysden and there was a program missing, so I installed it, then another one, again I installed it. With these two programs and their dependences XCrySDen worked. Pablo De: wien-boun...@zeus.theochem.tuwien.ac.at wien-boun...@zeus.theochem.tuwien.ac.at en nombre de Peter Blaha pbl...@theochem.tuwien.ac.at Enviado: viernes, 10 de octubre de 2014 01:10 a.m. Para: A Mailing list for WIEN2k users Asunto: Re: [Wien] Xcrysden problem After installation of xcrysden you must kill w2web (ps -ef |grep w2web and kill the corresponding processes). Then make sure your environment is ok (eventually logout/login) and restart w2web. PS: before starting w2web, the environment variable XCRYSDEN_TOPDIR must be set. Am 10.10.2014 04:51, schrieb bayarr temuujin: Dear Wien2k users, I am new to Wien2k and i am running Wien2k version 13.1 on Ubuntu 14.04. LTS. I have problem with Xcrysden not showing up when i run electron density calculation. The button Calculate density with XCrysden doesnt show up. I have re-installed Xcrysden and XCrysden is working fine. Please help me out. Best regards, Temuujin ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- - Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pbl...@theochem.tuwien.ac.at - ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Xcrysden problem
After installation of xcrysden you must kill w2web (ps -ef |grep w2web and kill the corresponding processes). Then make sure your environment is ok (eventually logout/login) and restart w2web. PS: before starting w2web, the environment variable XCRYSDEN_TOPDIR must be set. Am 10.10.2014 04:51, schrieb bayarr temuujin: Dear Wien2k users, I am new to Wien2k and i am running Wien2k version 13.1 on Ubuntu 14.04. LTS. I have problem with Xcrysden not showing up when i run electron density calculation. The button Calculate density with XCrysden doesnt show up. I have re-installed Xcrysden and XCrysden is working fine. Please help me out. Best regards, Temuujin ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- - Peter Blaha Inst. Materials Chemistry, TU Vienna Getreidemarkt 9, A-1060 Vienna, Austria Tel: +43-1-5880115671 Fax: +43-1-5880115698 email: pbl...@theochem.tuwien.ac.at - ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Xcrysden problem
Temuujin and WIEN2k users, I want to add that this also happens with Fedora 19 and up. XCrySDen works fine for Fedora 18 and down. Pablo de la Mora De: wien-boun...@zeus.theochem.tuwien.ac.at wien-boun...@zeus.theochem.tuwien.ac.at en nombre de bayarr temuujin fox_temuu...@yahoo.com Enviado: jueves, 09 de octubre de 2014 09:51 p.m. Para: wien@zeus.theochem.tuwien.ac.at Asunto: [Wien] Xcrysden problem Dear Wien2k users, I am new to Wien2k and i am running Wien2k version 13.1 on Ubuntu 14.04. LTS. I have problem with Xcrysden not showing up when i run electron density calculation. The button Calculate density with XCrysden doesnt show up. I have re-installed Xcrysden and XCrysden is working fine. Please help me out. Best regards, Temuujin ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
