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CODE:
Excitation Energies [eV] at current iteration:
Root 1: 1.435177447052684 Change is -0.000007591396887
Root 2: 1.496730501912777 Change is -0.000102809764892
Root 3: 1.608684268735652 Change is -0.000113629090397

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CODE:
IOp(9/9)
Convergence criterion (on energy for L913, wavefunction for L914).
0 Default:
L913 single point: 10**-7 energy, 10**-5 wfn.
L913 gradient: 10**-8 energy, 10**-6 wfn.
L914 single point:n: 10**-4 wfn.
L914 gradient: 10**-6 wfn.
N 10**-N.

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ykwang

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Originally posted by yjcmwgk at 2010-12-15 16:40:54:
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Originally posted by ykwang at 2010-12-15 16:57:12:
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4Â¥2010-12-15 17:21:13
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qzhaosdu

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Originally posted by yjcmwgk at 2010-12-15 17:21:13:

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5Â¥2010-12-15 18:32:22
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Originally posted by qzhaosdu at 2010-12-15 18:32:22:
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