you can simply copy all the files of SRC_IRelast/script-elastic/* to $WIENROOT.
Le dim. 5 juin 2022 à 00:57, Lyudmila Dobysheva via Wien < wien@zeus.theochem.tuwien.ac.at> a écrit : > 02.06.2022 20:21, 413119...@nitt.edu 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 > --- > Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home) > Skype: lyuka18 (office), lyuka17 (home) > E-mail: lyuk...@mail.ru (office), lyuk...@gmail.com (home) > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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