[ase-users] Z-matrix format optimization

[Huang Bing]

Hi, all
Can one optimize structures in Z-matrix format using vasp?
Sometimes, XYZ constraints is far to enough such as in the
case of O2/Cu(111) with the distance of the center of mass
of O2 relative to Cu(111) fixed, relaxing only the other degrees
of freedom.

Best Regards,
Bing
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