No,
this is not the best solution. There are low symmetries (and a long LM
list in case.in2) where NCOM=261 is necessary.
I suggest the fix in dstart as I wrote before.
I will also change the lapw0 code and put lmmaxx=121 (if it was zero),
but no longer use NCOM.
I changed param.inc in SRC_lapw0. I changed the line
PARAMETER (NCOM= 261) !181
to
PARAMETER (NCOM= 121) !181--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: [email protected]
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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