本人才开始接触量化计算，表达有很多不妥之处，请见谅！

DFT计算用的是B3LYP函数，6-31G(d,p)基组，计算提示已经收敛（Force和dicplacement等4个项显示YES，是收敛吗？）。做TD-DFT计算1小时后出现如下错误，查了一些帖子说是冻芯错误，不知道如何解决呢？请明白的人不吝赐教！谢谢您了！！
非金属C/H/O/N；金属La


log文件最后：

Largest valence mixing into a core orbital is  5.12D-01
Largest core mixing into a valence orbital is  3.00D-01
Excessive mixing of frozen core and valence orbitals.
Error termination via Lnk1e in /opt/g09/l801.exe at Sun Jun 28 16:06:56 2020.
Job cpu time:       0 days  1 hours 27 minutes 37.2 seconds.
File lengths (MBytes):  RWF=   2075 Int=      0 D2E=      0 Chk=    264 Scr=      1



计算过程：

[root@server Ln]# formchk la.chk
Read checkpoint file la.chk
Write formatted file la.fchk
FChkPn:  Coordinates translated and rotated.
FChkPn:  Coordinates match /B/ after translation and rotation.
gv[root@server Ln]# gv
[root@server Ln]# g09 < la-2.gjf > la-2.log&
[1] 2243
[root@server Ln]# Error: segmentation violation
rax 0000000000000000, rbx ffffffffffffffff, rcx ffffffffffffffff
rdx 00000000000008c9, rsp 00007ffea8dddd18, rbp 00007ffea8dde290  
rsi 000000000000000b, rdi 00000000000008c9, r8  00007faeb88e8740
r9  0000000000000000, r10 00007ffea8ddd7a0, r11 0000000000000206
r12 0000000000000000, r13 0000000000000000, r14 00007ffea8dde2d8
r15 00000000000003e6
--- traceback not available 返回小木虫查看更多