DFT-SIC: OEP calculations dont converge


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Forum Vet
remove symmetry
Meffyx
Your input will converge once you remove symmetry.

start h2osic

geometry units bohr
 o 0.00000000000000 0.00000000000000 -0.75875850254597
 h -1.41720464643173 0.00000000000000 0.37937925127299
 h 1.41720464643173 0.00000000000000 0.37937925127299
end

basis
 * library def2-SVP 
end

dft
 XC becke88 lyp 
 direct
 SIC OEP-LOC
 sym off
adapt off
 iterations 30
end

task dft energy