我在gaussian09D做NBO分析时,出现了这种错误 Convergence failure -- run terminated. Error termination...
S**2 before annihilation 0.7520, after 0.7500 Convergence failure -- run terminated...
应助指数 +1zhou2009: 金币+42015-01-08 16:23:11Convergence failure -- run terminated.Error ...
Convergence failure -- run terminated.Error termination via Lnk1e in D:\Gaussian\G16W\l502.exe ...
在之前算完结束的基础上改变charge重新保存计算,走两三步就会报错l502 Convergence failure -- run ...
Convergence failure -- run terminated.Error termination via Lnk1e in D:\app\GAUSSIAN\G09W\l502....
Convergence failure -- run terminated.Error termination via Lnk1e in /usr/local/g09/l502.exe at...
after 0.8672Convergence failure -- run terminated.Error termination via Lnk1e in C:\G03W\l50...
Convergence failure -- run terminated.Error termination via Lnk1e in /home-ys/Soft/Gaussian.D01....
Requested convergence on energy=1.00D-06.No special actions if energy rises.PCMQM-DMPCM-2 a...