Hi Kush,
Your eps values are probably not tight enough, try lowering them:
EPS_DEFAULT 1.0E-10 -> EPS_DEFAULT 1.0E-12
EPS_PGF_ORB 1.0E-03 -> EPS_PGF_ORB 1.0E-06 or lower
(this probably even triggers a warning in your output!)
EPS_SCHWARZ 1.0E-6 -> EPS_SCHWARZ 1.0E-7 or lower
Also MAX_SCF for the inner scf loop should not be larger than 30:
MAX_SCF 300 -> MAX_SCF 30
Cheers,
Fabian
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