[Wien] IRelast-package
Peter Blaha
peter.blaha at tuwien.ac.at
Wed Jun 29 17:56:55 CEST 2022
Why ??
After an installation of WIEN2k_21 this script is already in $WIENROOT
PS: It would be nice if you could answer/solve the problems with IRelast
mentioned in the mailing list recently.
Regards
Am 29.06.2022 um 11:13 schrieb Morteza Jamal via Wien:
>
>
> Dear Users,
>
> For using IRelast package, please copy
> initIR_lapw from SRC_IRelast/script-elastic/ to $WIENROOT (main
> directory of Wien2k Package).
>
> With best,
> Morteza
>
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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