[Wien] Problem faced during elastic constant calculation using IReleat

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Jun 24 19:10:44 CEST 2020


change into:

cd /home/Wien2k/Wien2k_19.1/SRC_IRelast/script-elastic/

and issue:

chmod +x *

(you need to be the "owner" of these files)

Am 24.06.2020 um 18:41 schrieb AJAY SINGH VERMA:
> 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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