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The optimal atomic positions are determined until the magnitude of the forces acting on all atoms is less than 0.001 eV  *£¨°£µÄ-1´Î·½£©(which converges the total energy within 0.01 meV).
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fanchen021

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haowenping(½ð±Ò+1): ллÁË£¡ 2011-03-16 15:45:26
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haowenping(½ð±Ò+2): лл£¡ 2011-03-17 09:22:34
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haowenping

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Originally posted by fanchen021 at 2011-03-16 15:16:31:
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lono75

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zzy870720z(½ð±Ò+1): ¹ÄÀø½»Á÷ 2011-03-17 09:44:48
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zzy870720z(½ð±Ò+1): лл½¨Òé 2011-03-17 13:49:49
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Originally posted by lono75 at 2011-03-17 09:35:31:
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haowenping(½ð±Ò+2): ºÜ¸Ð¼¤£¡ 2011-03-17 18:11:23
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Originally posted by haowenping at 2011-03-16 14:59:05:
The optimal atomic positions are determined until the magnitude of the forces acting on all atoms is less than 0.001 eV  *£¨°£µÄ-1´Î·½£©(which converges the total energy within 0.01 meV).
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haowenping

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Originally posted by uuv2010 at 2011-03-17 11:28:09:
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haowenping(½ð±Ò+5): ллÀ²£¡´ó¼Ò¶¼ºÜÈÈÐÄ£¡ 2011-03-21 08:23:08
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Originally posted by haowenping at 2011-03-17 18:11:07:
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nll1988

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haowenping

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Originally posted by nll1988 at 2011-03-27 16:43:46:
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howberg

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hhayy

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Originally posted by haowenping at 2011-03-16 14:59:05:
The optimal atomic positions are determined until the magnitude of the forces acting on all atoms is less than 0.001 eV  *£¨°£µÄ-1´Î·½£©(which converges the total energy within 0.01 meV).
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haowenping

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Originally posted by hhayy at 2011-03-29 10:31:48:
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