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[½»Á÷] ¡¾ÇóÖú¡¿gaussianÓÅ»¯¼ÆËãʱ³ö´í

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Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.

Requested convergence on MAX density matrix=1.00D-06.

Requested convergence on             energy=1.00D-06.

No special actions if energy rises.

Erroneous write. Write -1 instead of 2537648.

fd = 4

orig len = 2537648 left = 2537648

g_write
[search]gaussian ÓÅ»¯[/search]

[ Last edited by lei0736 on 2008-11-24 at 23:37 ]
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