[Pw_forum] Tips for vc-relax when far from equilibrium

xirainbow nkxirainbow at gmail.com
Wed Oct 7 04:11:59 CEST 2009


Dear Brad Malone:
You can opitmize structure using empirical or semi-empirical method(for
example: tight-binding method) with other software:)
After that, the pre-optimized structure will be more suitable for DFT
calculation:)


-- 
____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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