[Wien] Problem faced during elastic constant calculation using IReleat
AJAY SINGH VERMA
ajay_phy at hotmail.com
Wed Jun 24 18:41:39 CEST 2020
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200624/37703255/attachment.html>
More information about the Wien
mailing list