Manual:DIRRCI:DIRECT

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&DIRECT -- Convergence control

CONVERE

Convergence threshold for energy.

Default:

CONVERR=1.0D-9

MAXITER

Maximum number of direct CI iterations.

Default:

MAXITER=10


Advanced options

   

CONVERR

Convergence threshold for residual vector.

Default:

CONVERR=1.0D-10

RESTART

Restart on CI-vectors present in MRCFINV.

Default:

RESTART=F

CPUMAX

Maximum amount of CPU-seconds to be used.

Default:

CPUMAX=604800
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