Posted by Mach on February 24, 2012 at 06:35:39:
How to run RASSI for doublet of Dysprosium?
We know that the doublet for DY3+ has 490 determinants/roots. Molcas says the maximum roots it can handle is 300 unless the it (molcas) is recompiled again. Could anyone please let me know how to get around this error?