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Questions related from Erik Nykwest
In section 6.64 of the VASP manual says it says "For charged cells or for calculations of molecules and surfaces with a large dipole moment, the energy converges very slowly with respect to the...
23 November 2016 2,298 2 View
I’ve been trying for days to converge the symmetry broken ground state of a single isolated Nickel atom to no avail. I’ve managed to converge Cr, Fe, and Cu but for some reason Ni doesn’t want to...
28 April 2016 8,006 10 View
