[Wien] the difference between wien97 and wien 2k

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Wed Aug 20 08:07:22 CEST 2003


> when caculate the optical properties, the wien97 says:
> ..., /x opticc -so [-up] /x joint -so [-up] /x kram -so [-up], but wien2k
> says:/ x opticc -so [-up] / x joint [-up] / x kram [-up]/,
> question: there are no" -so" in calculating "joint' and "kram" in wien2k.
> why?

The documentation of WIEN97 was wrong.

                                      P.Blaha
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