[Wien] Optimization using option 6 (VARY A B C 3D ORTHORHOMBIC)

[delamora]

In the option 6 you can put one of the mentioned numbers

27, 64,125 in which the parameters are varied by 3x3x3 (=27 different cases) 'a' is varied by -3 0 3, the same for 'b and 'c', then you have to fit a curve to these results.

________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Zia Rehman <ziadesk at gmail.com>
Enviado: miércoles, 09 de julio de 2014 02:58 p.m.
Para: Wien at zeus.theochem.tuwien.ac.at
Asunto: [Wien] Optimization using option 6 (VARY A B C 3D ORTHORHOMBIC)

Respected Sir/Mam,

I am beginner, i want to know how to use the following option in x optimization

VARY A, B, C 3D ORTHORHOMBIC

For first option of x optimization we write as for example
-3
-1
0
1
3

Whether above pattern is used in option 6?

Best Regards
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