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#1 2018-08-22 17:49:00
- Hanros
- Member
- Registered: 2017-12-26
- Posts: 17
RASSCF convergence issue
Hi
I'm trying to do a RASSCF calculation with a large active space and experiencing convergence problems. I have included Levshift 1.0, however this doesn't seem to make much difference. During the RASSCF convergence, the running process goes into a sleeping state and the call being made by the process is futex(0x2b6195e8f784, FUTEX_WAIT_PRIVATE, 1, NULL).
Could someone please advise me.
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