CCSD(T) - error for scandium (quartet) energy calculation


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Forum Vet
4:35:34 PM PST - Wed, Nov 8th 2017
Try this tce input section
tce
 freeze atomic
 ccsd(t)
 maxiter 1100
 lshift 0.4
 thresh 1.0d-5
 tilesize 24
 attilesize 30
 io ga
 2eorb
 2emet 13
 diis 11
end