Re: [Wien] Error while running elastic calculations
Send your compound along with data ( value of pressure, case.outputeos if there is) for me. m_jama...@yahoo.com ___ 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] Error while running elastic calculations
Yes sir. I am able to do calculation for 0 pressure and also for other compounds with different pressure values using the command set_elast_pressure.But for a compound when im run the command i am getting the error Quoting Morteza Jamal via Wien : Are files in the \SRC_IRelast\script-elastic subdirectory as Executable files?? ___ 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] Error while running elastic calculations
Are files in the \SRC_IRelast\script-elastic subdirectory as Executable files?? ___ 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