24小时热门版块排行榜

返回列表

cz020510210

金虫 (小有名气)

应助: 0 (幼儿园)
金币: 829.5
帖子: 89
在线: 4.6小时
虫号: 310520

[交流] 【求助】No lower point found -- run aborted

Gaussion 03 windows系统报错 No lower point found -- run aborted，该怎么解决。
输入文件
%CHK=parimary1ONIOM.CHK
# ONIOM(B3LYP/6-31G(d)

M3) OPT TEST scf=qc

primary ONIOM

0 1 0 1 0 1
C 0 -3.232208 5.065357 0.352877 L
C 0 -2.724156 5.828249 -0.905773 L
C 0 -1.294077 5.361545 -1.276042 L
C 0 -0.375625 5.496304 -0.025831 L
C 0 -0.991501 4.741283 1.181321 L
C 0 -0.228019 5.0602 2.487937 L
C 0 -6.099165 0.589944 0.281019 L
C 0 -6.476159 1.757859 -0.678645 L
C 0 -5.237083 2.645495 -0.954737 L
C 0 -4.620594 3.10284 0.397251 L
C 0 -4.371668 1.897119 1.344238 L
C 0 -4.044528 2.356383 2.784417 L
C 0 -4.31539 -4.24112 -0.973514 L

输出文件
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 D:\G03W\l508.exe at Thu Dec 23 16:25:20 2010.
Job cpu time: 0 days 3 hours 53 minutes 33.0 seconds.
File lengths (MBytes): RWF= 65 Int= 0 D2E= 0 Chk= 41 Scr= 1

回复此楼