Re: RASSCF big basis

Posted by Balazs Hajgato on June 14, 2002 at 12:48:33:

In Reply to: RASSCF big basis posted by Balazs Hajgato on June 11, 2002 at 18:04:10:

Thank you guys, finally it has converged. I played around with the number of iterrations per rasscf job. I did not try the levelshifter, because the calculation is big. But I still have some calculatuions and I will thry there the levelshifter.

e-mail: hajgato(at)iris.inc.bme.uh

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: Thank you guys, finally it has converged. I played around with the number of iterrations per rasscf job. I did not try the levelshifter, because the calculation is big. But I still have some calculatuions and I will thry there the levelshifter. : e-mail: hajgato(at)iris.inc.bme.uh