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【求助】No lower point found -- run aborted
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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=qcprimary 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 |
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3楼2010-12-24 09:31:05
2楼2010-12-23 21:58:30










M3) OPT TEST scf=qc
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