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银虫 (小有名气)

应助: 0 (幼儿园)
金币: 218
帖子: 86
在线: 79.2小时
虫号: 1772529
注册: 2012-04-23
专业: 原子和分子物理

[求助] 求助高斯计算出错

G03
Search did not lower the energy significantly.
No lower point found -- switch to scaled steepest descent.
Search did not lower the energy significantly.
Scaled steepest descent with Shift=0.000 failed.
Search did not lower the energy significantly.
Scaled steepest descent with Shift=0.025 failed.
Search did not lower the energy significantly.
Scaled steepest descent with Shift=0.050 failed.
Search did not lower the energy significantly.
Scaled steepest descent with Shift=0.075 failed.
Search did not lower the energy significantly.
No lower point found -- switch to steepest descent.
Search did not lower the energy significantly.
No lower point found -- run aborted.
Error termination via Lnk1e in C:\G03W\l508.exe at Fri Jun 15 19:09:09 2012.
Job cpu time: 0 days 10 hours 13 minutes 29.0 seconds.

是怎么回事啊？
File lengths (MBytes): RWF= 11 Int= 0 D2E= 0 Chk= 4 Scr= 1

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