[Wien] non-rectangular cell

Mahbube Hortamani hortaman at fhi-berlin.mpg.de
Fri Jun 18 16:23:15 CEST 2004


unfortunately, this is the result of  *.scf_mini. I should say one of my previous
attachment was not correct, I send the correct one with this mail
I tried to use of P lattice in several different cases. In some cases it
works and with minimization of force, the energy also becomes minimal.
but for most of them the energy rises up.


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