标题: molpro错误 ERROR: BASIS LINEARLY DEPENDENT OR WRONG S [打印本页] 作者Author: CCVV 时间: 2021-4-7 15:37 标题: molpro错误 ERROR: BASIS LINEARLY DEPENDENT OR WRONG S 求大佬帮忙：molpro错误 ERROR: BASIS LINEARLY DEPENDENT OR WRONG S The current threshold for the smallest tolerated eigenvalue of S is 1.0D-08
This threshold can be changed with GTHRESH,THROVL=value, but values smaller than 1.d-8
are normally not recommended and can cause numerical problems.
这个该怎么修改呀