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Re: FORCING SOSCF calculation
sanya
sanya@photonics.ru
You don't have to keep consistency of the calculation this way. If your SCF solution is stable, you'll come to it either with DIIS or with SOSCF. If the solution is unstable and you get different solutions with different accelerators, probably both solutions are wrong.By the way, can you attach your input/output files that give errors?
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Thu Nov 5 '09 1:07am
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