[Wien] Problem about the command min and mini.positions!

[Peter Blaha]

There is no difference between these commands.  mini.posisitions calls 
min
Also min  requires case.inM. If not present it will create it 
automatically with some defaults (but does not open an editor window), 
and gives a small notice in the :log and case.dayfile).



     I have a problem to consult you. I want to know the difference between
command min -i 50 -s 1 -j "run_lapw -I -i 100 -fc 1.0"  and mini.positions.
When using mini.positions from the execution drop list, the process of
minimization need case.inM,but the command min from command line does not
need that file. Are the calculation results of the two kinds of calculation
methods the same absolutely?Thank you in advance.
    Best regards.

Sincerely,

Z.J.



                                      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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