[Wien] Problem faced during elastic constant calculation using IReleat

AJAY SINGH VERMA Wed, 24 Jun 2020 09:42:12 -0700

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

5 Comments

Unknown15 October 2020 at 16:05
Can you send me the link for IRelast?
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Abderrahmane REGGAD17 November 2020 at 22:01
https://wien2k-algerien1970.blogspot.com/2016/09/summarization-of-calculation-of-elastic.html
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Abderrahmane REGGAD17 November 2020 at 22:02
https://wien2k-algerien1970.blogspot.com/2016/09/calculation-of-elastic-properties-using_6.html
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Nelson Nenuwe1 May 2022 at 05:45
I tried to use IRelast for elastic constant calculations and I encountered the following error message:
/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.

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Parartha6 July 2024 at 08:17
Could you solve the problem? I m facing the same,how can i solve it?
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