Hi everybody,
I am wondering if anybody could comment on whether or not VASP has any problem or issue in handling a system (unit cell/super cell) that has negative lattice vector components and negative fractional coordinates of the constituent atoms in geometry optimisations, MD, and any post processing single point jobs. I have been hearing that VASP might have got a bit of issue, although nothing really definitive. So, any clarifying comments would be highly appreciated and of much help.
Thanks,
Sankh
Negative lattice Vectors and coordinates
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sankh
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Negative lattice Vectors and coordinates
Last edited by sankh on Tue Feb 15, 2011 7:47 pm, edited 1 time in total.
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admin
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Negative lattice Vectors and coordinates
no, there are no problems with negative lattice vectors or atoms positions
Last edited by admin on Thu Feb 24, 2011 2:48 pm, edited 1 time in total.