[Wien] internal change-RKMAX

rosangela de paiva rdepaiva at dedalus.lcc.ufmg.br
Fri Nov 14 21:07:59 CET 2003


Dear  Wien users,

I have a question. Why does the program change the RKMAX  I Choose?
For instance, I specify Rkmax=7.0 and it uses the 6.51, when calculating
a cell with 2 atoms. If I specify 9.00 for the same cell it uses  8.7.

There is no way to get rid of this internal change?

Best regards,

Rosangela de Paiva





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