标题: SCI-PCM报错 [打印本页] 作者Author: 发条鸟 时间: 2015-12-25 20:53 标题: SCI-PCM报错 各位老师，计算的时候碰到了这个错误，是关于scipcm模型的吗？应该怎么解决？
Dielectric constant of solvent = 78.355300
Solute cavity defined by isodensity surface of value = 0.000400 au
Using Becke method to do surface integrals
- all nuclei will be used as origins.
Using old-style function for Becke weights.
Compute SCI-PCM surface.
A solvent integration origin lies outside the cavity!
Error termination via Lnk1e in /share/apps/gaussian/g09/l502.exe at Fri Dec 25 20:40:19 2015.