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HHCOOL

木虫 (著名写手)

[求助] 精修高手帮忙!!!!!!

PLAT080_ALERT_2_A Maximum Shift/Error ............................       0.61      
PLAT113_ALERT_2_A ADDSYM Suggests Possible Pseudo/New Space-group.        P-1     
PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........          ?
PLAT211_ALERT_2_A ADP of Atom C9      is N.P.D. or (nearly) 2D ...          ?     
PLAT213_ALERT_2_A Atom C12             has ADP max/min Ratio .....       5.10 oblat
PLAT415_ALERT_2_A Short Inter D-H..H-X       H1     ..  H21     ..       1.88 Ang.
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nokian1985

木虫 (正式写手)

【答案】应助回帖

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wsht212(金币+1): 2011-05-26 22:10:19
空间群有可能定错了
3楼2011-05-26 09:16:14
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nokian1985

木虫 (正式写手)

【答案】应助回帖

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HHCOOL(金币+1): 好 2011-05-26 13:28:47
wsht212(金币+1): 2011-05-26 22:10:13
多修几轮,实在不行damp 0 0.001命令
2楼2011-05-26 09:15:44
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