24小时热门版块排行榜    

查看: 733  |  回复: 3
当前只显示满足指定条件的回帖,点击这里查看本话题的所有回帖

563078032

木虫 (正式写手)

[求助] 求助A类错误

Alert level A
PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on W2 2.66 eA-3
PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on W4 2.37 eA-3
PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on W3 2.08 eA-3
回复此楼
多多请教
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

563078032

木虫 (正式写手)

PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on     W2       2.63 eA-3
PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on     W6       2.07 eA-3
Please just look into the checkcif report, for instance in the web page of your submission.There you will find what you should do: to explain why there are so large positive residual electron densities (and some more details).
这是编辑的回信,怎么解释A类错误?谢谢老师。
多多请教
4楼2012-07-25 01:02:35
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
查看全部 4 个回答

linhua0402313

版主 (文坛精英)

【答案】应助回帖

★
感谢参与,应助指数 +1
lijunjie84: 金币+1, 感谢应助! 2012-07-25 17:36:39
主要是残余峰太高, 考虑用命令 omit -3 50 再精修试一试
身在高山独抚琴,心随流水会知音
2楼2012-07-24 07:33:44
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

563078032

木虫 (正式写手)

好的,谢谢老师。我试试
多多请教
3楼2012-07-24 08:11:52
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
最具人气热帖推荐 [查看全部] 作者 回/看 最后发表
[教师之家] 售SCI一区T0P文章,我:8.O.55.1.O54,科目全,可伽急 +3 FChKX8meu1ds 2026-11-09 6/300 2026-11-11 04:32 by Z7qfCsdIiD1T
[论文投稿] 售SCI一区文章,我:8O5.5.1.O5.4,科目全,可伽急 +3 FChKX8meu1ds 2026-11-09 5/250 2026-11-11 04:23 by Z7qfCsdIiD1T
[公派出国] 售SCI-T0P文章,我:8O.5.5.1.O.54,科目齐全,可+急 +4 zSbvVX9JFl9J 2026-11-09 5/250 2026-11-11 04:01 by Z7qfCsdIiD1T
[公派出国] 售SCI一区T0P文章,我:8O.55.1.O.54,科目全,可伽急 +4 FChKX8meu1ds 2026-11-09 8/400 2026-11-11 01:49 by Z7qfCsdIiD1T
[教师之家] 售SCI一区T0P文章,我:8O.55.1.O.5.4,科目齐全,可+急 +3 FChKX8meu1ds 2026-11-09 6/300 2026-11-11 01:32 by Z7qfCsdIiD1T
[论文投稿] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 +4 cqv1zKnzd7hr 2026-11-09 6/300 2026-11-11 01:21 by Z7qfCsdIiD1T
[教师之家] 售SCI一区文章,我:8.O.55.1.O.54,科目齐全,可伽急 +4 0TEMgxdT1eIw 2026-11-09 6/300 2026-11-11 01:13 by Z7qfCsdIiD1T
[考研] 售SCI文章,我:8O.5.5.1O.54,科目全,可十急 +4 0TEMgxdT1eIw 2026-11-09 6/300 2026-11-11 01:10 by Z7qfCsdIiD1T
[考研] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +4 zSbvVX9JFl9J 2026-11-09 5/250 2026-11-11 00:59 by Z7qfCsdIiD1T
[硕博家园] 售SCI一区T0P文章,我:8.O55.1.O.54,科目全,可十急 +3 FChKX8meu1ds 2026-11-09 4/200 2026-11-10 20:51 by Z7qfCsdIiD1T
[论文投稿] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 +4 cqv1zKnzd7hr 2026-11-09 5/250 2026-11-10 20:12 by Z7qfCsdIiD1T
[硕博家园] 售SCI-T0P文章,我:8O.5.5.1.O.54,科目齐全,可+急 +3 cqv1zKnzd7hr 2026-11-09 4/200 2026-11-10 20:07 by Z7qfCsdIiD1T
[教师之家] 延安大学回应“副教授留绝笔信”:确已离世,正核实举报内容 +4 yexuqing 2026-11-04 6/300 2026-11-10 11:13 by susizheng
[文学芳草园] 厉娜 +3 张丹枫1991 2026-11-09 5/250 2026-11-09 16:53 by 张丹枫1991
[硕博家园] 售SCI一区T0P文章,我:8O.55.1.O.54,科目全,可伽急 +5 5sJFDKp2kwuI 2026-11-06 16/800 2026-11-09 11:47 by GwrQVVR6Oenx
[考博] 售SCI文章,我:8O.5.5.1O.54,科目全,可十急 +5 5sJFDKp2kwuI 2026-11-06 15/750 2026-11-09 11:41 by GwrQVVR6Oenx
[教师之家] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 +5 5sJFDKp2kwuI 2026-11-06 9/450 2026-11-08 22:46 by l48hFd8Nwae2
[硕博家园] 售SCI一区T0P文章,我:8O.55.1.O.5.4,科目齐全,可+急 +6 kvewwGtKktqB 2026-11-04 16/800 2026-11-06 05:00 by qL1cU46YIdK0
[考博] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 +4 ttH3f1oA6ace 2026-11-04 7/350 2026-11-06 02:13 by qL1cU46YIdK0
[考研] 售SCI一区T0P文章,我:8.O55.1.O.54,科目全,可十急 +4 ttH3f1oA6ace 2026-11-04 10/500 2026-11-06 02:04 by qL1cU46YIdK0
信息提示
请填处理意见