MNDO软件做固定优化时出现如下问题

cxh19990601

您好老师，我在使用Chemshell对接MNDO软件进行固定优化时出现了以下问题。
mndo.out：ERROR: ENERGY SEPARATION FOR ACTIVE REDUNDANT PAIR   42,  41 IS LESS THAN .10000E-04 EV,
BUT Q COEFFICIENT IS  0.44891E-02 WHICH IS GREATER THAN .30000E-07.
MINI.log（chemshell输出文件）：
mndo_read: MNDO interface file fort.15 is missing
*******************************************************************************
Fatal error : Failed to recover MNDO results from fort.15 - check mndo.out
*******************************************************************************
Failed to recover MNDO results from fort.15 - check mndo.out
DL-FIND: energy/gradient evaluation failed


DL-FIND Report:
===============
Optimisation algorithm: L-BFGS
Number of steps in L-BFGS memory ...............         50

Trust radius based on energy
Maximum step length ............................  5.000E-01

Coordinate system: Cartesian coordinates

Number of atoms ................................         26
Number of input geometries .....................          1
Variables to be optimised ......................         78
No restart information is written
This run has not been restarted.
Number of energy evaluations on this processor .         53
Number of steps ................................         53
Number of accepted steps / line searches .......         31



DL-FIND ERROR:
Energy evaluation failed




DL-FIND ERROR:
Energy evaluation failed


dlf_error called
jumped out of DL-Find with code 1
exit -1
exited DL-Find search: iret=-1
0
请问各位老师该问题应该如何解决，谢谢老师回答！

limsh

你好，请问问题解决了吗，我也遇到这个报错了