| 查看: 2488 | 回复: 2 | |||
| 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 | |||
[求助]
DMOL3计算结果求助
|
|||
|
Message: License checkout of MS_dmol successful Message: Using user-supplied basis set file: basfile_v4.4 Warning: dspp takes precedence over using symmetrized basis Warning: Existing Hessian file deleted. Warning: no SYM file, no symmetry used in vibrational analysis Warning: at least C1 SYM file should be there for optgeom Message: SCF converged Warning: Magnitude of eigenvalue 1 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 2 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 3 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 4 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 5 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 6 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 7 too small. Replaced by 0.000100 Message: SCF converged Warning: Magnitude of eigenvalue 1 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 2 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 3 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 4 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 5 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 6 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 7 too small. Replaced by 0.000100 Message: SCF converged Warning: Magnitude of eigenvalue 1 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 2 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 3 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 4 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 5 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 6 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 7 too small. Replaced by 0.000100 Message: SCF converged Warning: Magnitude of eigenvalue 1 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 2 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 3 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 4 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 5 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 6 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 7 too small. Replaced by 0.000100 用dmol3计算每次都会提示这个 是什么参数设置有问题，求助，谢谢！ |
回复此楼» 猜你喜欢
有多少人是今天查系统知道结果的？
已经有17人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.54,科目齐全,可+急
已经有4人回复
-
基金不中，共勉
已经有5人回复
-
看板上这么多中的，有点像50人群里49个人都是骗子的那种感觉……
已经有3人回复
-
国自然面上复盘~欢迎讨论
已经有5人回复
-
我不理解！
已经有23人回复
-
2026年的国家社科基金项目通讯评审的新规则与新动向、新挑战
已经有10人回复
-
系统查不到
已经有10人回复
-
怎么查啊
已经有5人回复
-
范进中举一文的中心思想
已经有10人回复
卡开发发
专家顾问 (著名写手)
Ab Initio Amateur
-
专家经验: +224 - 1ST强帖: 2
- 应助: 47 (小学生)
- 金币: 3567.8
- 散金: 14
- 红花: 223
- 帖子: 2477
- 在线: 1254小时
- 虫号: 1369423
- 注册: 2011-08-16
- 性别: GG
- 专业: 金属材料的磨损与磨蚀
- 管辖: 第一性原理
3楼2019-04-02 03:03:08
投票: