[Wien] complex calculation

[Gerhard Fecher]

Just in case someone is wondering, that complex calculations do not run as expected:

I realised that the W2WEB Session Info is not changed to complex
if one uses batch initialisation but only during the step by step initialization.

Usually this seems not to be an issue as Wien (lapw etc) uses the correct -c option
for such cases.
The proplem appears for example if one uses initso from w2web as
it does not find .in1c but asks to change .in1 if the info is not set to complex.

I did not find when this appeared the first time, at least it apperas in 9.2 and 10.1


Ciao
Gerhard

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Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz