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
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg20253.html
Hello, my name is Dr Abderrahmane Reggad. I'm a 53 year old and I am a researcher in materials' sciences. 
5 Comments
Can you send me the link for IRelast?
ReplyDeletehttps://wien2k-algerien1970.blogspot.com/2016/09/summarization-of-calculation-of-elastic.html
ReplyDeletehttps://wien2k-algerien1970.blogspot.com/2016/09/calculation-of-elastic-properties-using_6.html
ReplyDeleteI tried to use IRelast for elastic constant calculations and I encountered the following error message:
ReplyDelete/home/nelson/WIEN2k/WIEN2K_21.1/SRC_IRelast/script-elastic/x: Command not found.
n stop error n
clmextrapol_lapw did not extrapolate new density because of missing MgO.rsp
head: cannot open 'MgO.inm' for reading: No such file or directory
head: cannot open 'MgO.inm' for reading: No such file or directory
no MgO.clmsum(_old) file found, which is necessary for lapw0 !
grep: *scf1*: No such file or directory
grep: lapw2*.error: No such file or directory
> stop error
Please sir, kindly guide on how to overcome this.
Thank you sir.
Nelson Nenuwe.
Could you solve the problem? I m facing the same,how can i solve it?
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