[Wien] SEVERE BUG in WIEN2k_23.1

[Peter Blaha]

Dear wien2k users,

Unfortunately I found a severe bug in lapw1 which was introduced in 
version 23.1. It concerns ONLY cubic cases (positive IATNR in 
case.struct). The results for cubic crystals with 23.1 are completely 
unreliable (small or large inaccuracies, thus hard to detect).

Non-cubic cases (negative IATNR) are not affected.

I've release a new version 23.2 and upgrading is more or less mandatory.

(Alternatively you can also download the new SRC_lapw1.tar.gz file and 
use the upgrade option inside siteconfig, but then you miss a few new 
features, see update section on www.wien2k.at)

Sorry for the inconvenience,

Peter Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at
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