| 查看: 1081 | 回复: 1 | ||
[求助]
Gauss计算加了溶剂化以后，就不收敛了
|
|
错误提示如下 Cycle 3 Pass 1 IDiag 1: Compute SCI-PCM surface. WARNING! Serious error in surface integrals. Nuclear flux = 121.00 Qnuc = 123.00 Error in int = 0.00 It is probable that some of the solute is outside the cavity and/or parts of the cavity surface cannot be reached from the origin. Try more integration points or a different set of integration origins. Surface Problems in SciFoc Error termination via Lnk1e in /public/home/WWangwei/opt//g09/l502.exe at Mon Mar 20 21:48:19 2017. Job cpu time: 0 days 0 hours 20 minutes 9.8 seconds. File lengths (MBytes): RWF= 29 Int= 0 D2E= 0 Chk= 2 Scr= 1 |
回复此楼» 猜你喜欢
调剂招生
已经有0人回复
-
调剂招生
已经有0人回复
-
物理化学论文润色/翻译怎么收费?
已经有54人回复
-
调剂招生
已经有0人回复
-
调剂招生
已经有0人回复
-
调剂招生
已经有1人回复
-
实际气体内压强的微观机制或将改写--------从一个基本的力学佯谬说起
已经有2人回复
-
调剂招生
已经有0人回复
-
调剂招生
已经有0人回复
-
调剂招生
已经有5人回复
-
招收0703开头的学硕调剂生 线上复试
已经有5人回复
2楼2020-12-24 08:17:13