[Wien] Small bug in mixer WIEN2k_24.1
Peter Blaha
peter.blaha at tuwien.ac.at
Thu Jun 19 20:16:15 CEST 2025
Dear wien2k users,
I got a report about a bug in mixer in WIEN2k_24.1.
It leads to a segmentation fault, but happens ONLY for cases with more
than 99 non-equivalent atoms. Smaller cells are not affected.
Fix:
In Storepot.f change:
! Location to start, in case they change
i1=SCAN(MARGN(8:160),'=') + 9
to
! Location to start, in case they change
i1=SCAN(MARGN(8:160),'=') + 8
and recompile.
Regards
--
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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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