Dear All,
I'm getting a peculiar Convergence Problem in scf total energy calculation.
An INCAR file with tag "ISPIN=2" gives excellent convergence just
within 30 iterations
whereas the same file with ISPIN=1
does not converge at all even after 300 iterations and total energy
keeps on oscillating. Any helpful comment will be appreciated.
A Strange Convergence Problem
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suza
A Strange Convergence Problem
Last edited by suza on Thu Jan 31, 2008 3:48 pm, edited 1 time in total.