When the crystal is not a regular cubic, say, the lattice parameters of angle are 80 80 80 (for example). How can I input the parameters and let Vasp know it is not a regular cubic?
Great appreciation to those who can help!
lattice parameter problem
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Jiaye Li
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lattice parameter problem
Last edited by Jiaye Li on Sat Sep 02, 2006 3:21 am, edited 1 time in total.
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admin
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lattice parameter problem
all lattice information has to be given by the Bravais Matrix in POSCAR (cell size and shape) and the atoms' positions.
Last edited by admin on Wed Sep 06, 2006 10:35 am, edited 1 time in total.