[Wien] Error while running elastic calculations

413119008 at nitt.edu 413119008 at nitt.edu
Wed Nov 30 06:38:02 CET 2022


Respected sir,

            I was running elastic constant calculations in Wien2k 21.1  
using IRelast package. When i run set_elast_pressure, i am getting the  
following error.I am not getting this error for zero pressure. As i  
include pressure gives the following error.Kindly help me to resolve  
this error.


Error: basis can not satisfy the main conditions.
Error: basis can not satisfy the main conditions.
--->  <---
--->                   <---

Error: basis can not satisfy the main conditions.
_set_elast_lapw: Command not found.

with regards

Narayanan P


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