Manual:DIRRCI:DIRECT
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Contents |
&DIRECT -- Convergence control
CONVERE
Convergence threshold for energy.
Default:
CONVERR=1.0D-9
MAXITER
Maximum number of direct CI iterations.
Default:
MAXITER=10
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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
