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:

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

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:

[Wien] Error while running elastic calculations

Respected sir, I was running elastic constant calculations in Wien2k 21.1 using IRelast package. When i run set_elast_pressure, i am getting the following error.I am not getting this error for zero pressure. As i include pressure gives the following error.Kindly help me to