[Wien] My second day with wien2k

[Gerhard Fecher]

Did you check
http://www.wien2k.at/reg_user/wien2k_download/
for the  three example directories.
or are you - just like yesterday - complaining a little bit about God, the world, and all other stuff ?

Just a comment:  Brain should be switched on before starting work at day 3.


Ciao
Gerhard

Deep thought in hitchikers guide to the galyaxy (D. Adams): "I think the problem, to be quite honest with you, is that you have never
actually known what the question is."


====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Markus Kaukonen [markus.kaukonen at iki.fi]
Gesendet: Montag, 7. Juni 2010 12:03
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] My second day with wien2k

Dear Wien2K,

I apologize, one should read the manual before commenting (so the test
cases are indeed there in the manual).

Usually the manuals start with installation instructions and proceed
to test cases, I guess that is a matter of taste.

Some additional questions (day2):
1) Where are the test cases? (manual, Chapter 10)
    TiC
    Fccni
    TiO2
 I cannot find them in http://www.wien2k.at/reg_user
neither in my installation directory.
However, I can see the directory WIEN2k_09/example_struct_files with examples.

2) Getting error 'Error - Bad Header' when trying to run test case
Fccni after pressing
    'Start SCF cycle' in w2web
    Found 3 times this same question in the mailing list search, but
unfortunately no answer.
    Additionally, the server is extremely slow for mail searches
http://www.wien2k.at/reg_user/mailing_list/
    :results take minutes if they ever come.


Neither could I find these in FAQ.

Just a comment: Documentation should be written by permanent stuff who
can offer a couple of weeks of their time without immanent threat of
being kicked out.

Terveisin, Markus




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