Max number of SO states handled by RASSI


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Posted by Ungur Liviu on October 29, 2007 at 10:06:41:

Does anyone know what is the maximum number of spin-orbit states that can be mixed by RASSI program in MOLCAS.7.0? I tried to mix 442 spin-orbit states and it works, but a bigger calculation including 770 spin-orbit states fails.
Is it possible to change a bit the source code in order to overpass this problem? If it is quite simple, could you, please, describe briefly what should be done?
Thank you in advance!
Ungur Liviu


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