24小时热门版块排行榜

返回列表

当前主题已经存档。

【有奖交流】积极回复本帖子，参与交流，就有机会分得作者 liujodan 的 2 个金币

liujodan

木虫 (正式写手)

应助: 0 (幼儿园)
金币: 1512.7
散金: 86
帖子: 655
在线: 162.4小时
虫号: 809913
注册: 2009-07-16
性别: GG
专业: 无机非金属基复合材料

[交流] 【求助】求助freq出错

请问高手，我的模型结构已经优化好了，但为什么做FREQ的时候，出错了呢？
出错的提示是：
AX will form  32 AO Fock derivatives at one time.
60 vectors were produced by pass  1.
60 vectors were produced by pass  2.
60 vectors were produced by pass  3.
59 vectors were produced by pass  4.
57 vectors were produced by pass  5.
32 vectors were produced by pass  6.
   4 vectors were produced by pass  7.
   3 vectors were produced by pass  8.
Inv2:  IOpt= 1 Iter= 1 AM= 4.67D-12 Conv= 1.00D-12.
Inv2:  IOpt= 1 Iter= 2 AM= 4.56D-25 Conv= 1.00D-12.
Inverted reduced A of dimension  398 with in-core refinement.

就这样，高斯就停了，请问高手这是什么意思？

回复此楼