02.06.2022 20:21, [email protected] wrote:
When i tried to calculte elastic constant using IRelast i was
getting error as mentioned below.I dont know why the path of WIEN@k
library is shown while executing calljob_lapw.so i kindly request you to
look into this and help me to solve this error.
...
next is setrmt
specify nn-bondlength factor: (usually=2) [and optionally dlimit,
...
/home/cmtl/Documents/WIEN2k_19.2/SRC_IRelast/script-elastic/x: Command
not found.
I did not work with this IRelast, so can only write general words that
there should be the settings in the package.
As a temporary, maybe making /SRC_IRelast/script-elastic/x and linking
it to /WIEN2k_19.2/x will help.
Best wishes
Lyudmila Dobysheva
------------------
http://ftiudm.ru/content/view/25/103/lang,english/
Institute of Physics and Technology,
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
426000 Izhevsk Kirov str. 132
Russia
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