Hi colleagues,
How I do to minimize the geometry of system (e.g. nanotube)? I need to find the equlibrium lattice parameter.
Thank you
geometry minimization
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vasp
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geometry minimization
Last edited by vasp on Tue Mar 18, 2008 11:18 am, edited 1 time in total.
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rudra-b
geometry minimization
i guess geometry minimization is given explicitly on the manual and other tutorials as well. check with IBRION = 2/1 as needed
happy vasping
happy vasping
Last edited by rudra-b on Mon Mar 24, 2008 8:20 am, edited 1 time in total.