Dear Sir, I am working on the calculation of elastic constants by using IRelast and elast (for Cubic). I get all elastic constants by elast package available in Wien2k but when i use IRelast for the calculation i got following msg.
bash: /home/Wien2k/Wien2k_19.1/SRC_IRelast/script-elastic/C_set_elast_lapw: Permission denied i read the user guide of IRelast but in this noting is written about this error. Kindly suggest me which files are required for this calculation. Thanks Dr. Ajay Singh Verma
_______________________________________________ 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
