[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
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Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
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