Dear VASP users,
I am trying to optimise the unit cell parameters for a monoclinic structure. Can any one tell me a good strategy to optimise all the cell parameters ( cell axes lengths, angles). Thanking you.
Naidu.
Monoclinic cell parameters optimisation
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naidu
Monoclinic cell parameters optimisation
Last edited by naidu on Thu Apr 22, 2010 10:53 am, edited 1 time in total.
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Danny
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Monoclinic cell parameters optimisation
Last edited by Danny on Thu Apr 22, 2010 3:08 pm, edited 1 time in total.
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naidu
Monoclinic cell parameters optimisation
Dear Danny,
Thank you for the information.
Thank you for the information.
Last edited by naidu on Mon May 03, 2010 2:00 pm, edited 1 time in total.