[Wien] what is NVEC2?

[Peter Blaha]

> the warning line" NVEC2 too small" appears in the .output1, but SCF
> continuously runs in wien2k_03. but, it stops in wien2k_05.
> what is NVEC2

NVEC1,2,3 is used in LAPW1 for some loop indices. Their starting values are
set in param.inc_r/r, but if they turn out to be too small, a warning is
printed, and these values are automatically increased.

To my knowledge, you can ignore this warning.
You can test it simply by increasing NVECx in param.inc_r/c and recompilation.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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