[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
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