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Requested convergence on RMS density matrix=1.00D-08 within 64 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Defaulting to unpruned grid for atomic number 46. Defaulting to unpruned grid for atomic number 46. Defaulting to unpruned grid for atomic number 46. Defaulting to unpruned grid for atomic number 46. Defaulting to unpruned grid for atomic number 46. Defaulting to unpruned grid for atomic number 46. Defaulting to unpruned grid for atomic number 46. Defaulting to unpruned grid for atomic number 46. Êä³öÎļþÖмÆËã½á¹û×ÜÊÇËãµ½ÉÏÃæÕâ¶ù£¬²»³öÏÖnormal£¬ÕâÊÇÔõôһ»á¶ùÊ£¿ |
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renwenjuan
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- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 885
- ºì»¨: 1
- Ìû×Ó: 77
- ÔÚÏß: 35.5Сʱ
- ³æºÅ: 2093906
- ×¢²á: 2012-10-29
- רҵ: ÀíÂۺͼÆË㻯ѧ
5Â¥2013-10-11 16:13:48
hairan
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- QCÇ¿Ìû: 3
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 1.06
- ½ð±Ò: 4974.3
- É¢½ð: 8072
- ºì»¨: 44
- Ìû×Ó: 2901
- ÔÚÏß: 733.4Сʱ
- ³æºÅ: 432069
- ×¢²á: 2007-08-12
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

2Â¥2013-10-09 21:37:42
renwenjuan
гæ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 885
- ºì»¨: 1
- Ìû×Ó: 77
- ÔÚÏß: 35.5Сʱ
- ³æºÅ: 2093906
- ×¢²á: 2012-10-29
- רҵ: ÀíÂۺͼÆË㻯ѧ
3Â¥2013-10-10 16:20:55
hairan
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- QCÇ¿Ìû: 3
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 1.06
- ½ð±Ò: 4974.3
- É¢½ð: 8072
- ºì»¨: 44
- Ìû×Ó: 2901
- ÔÚÏß: 733.4Сʱ
- ³æºÅ: 432069
- ×¢²á: 2007-08-12
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

4Â¥2013-10-10 18:14:57














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