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cif A错误
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PLAT307_ALERT_2_A Isolated Metal Atom (Unusual !) ................ Pb1_d PLAT307_ALERT_2_A Isolated Metal Atom (Unusual !) ................ Pb1_i 有没有见过这样的A错误 求解决方案 |
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2楼2009-08-24 10:07:43
3楼2009-08-24 10:12:25
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在list 文件显示有配位啊 Pb1 - Distance Angles O1_$7 2.3016 (0.0083) O5_$8 2.3462 (0.0090) 82.31 (0.32) O7_$5 2.4516 (0.0086) 72.82 (0.30) 80.42 (0.34) Pb1 - O1_$7 O5_$8 Pb2 - Distance Angles O7_$3 2.4237 (0.0088) O4 2.4365 (0.0090) 87.41 (0.32) O1_$1 2.5403 (0.0086) 69.29 (0.29) 77.97 (0.31) Pb2 - O7_$3 O4 |
4楼2009-08-24 10:15:24
5楼2009-08-24 10:22:52
6楼2009-08-24 10:26:59
7楼2009-08-24 10:29:49