我在使用社长帖子《使用Multiwfn结合CP2K通过NCI和IGM方法图形化考察固体和表面的弱相互作用》计算NCI的时候报错，报错结果如下：
Coordinate of origin in X,Y,Z is 0.000000 0.000000 0.000000 Bohr
Coordinate of end point in X,Y,Z is NaN NaN NaN Bohr
Grid vector 1 in X,Y,Z is NaN NaN NaN Bohr, norm: NaN
Grid vector 2 in X,Y,Z is NaN NaN NaN Bohr, norm: NaN
Grid vector 3 in X,Y,Z is NaN NaN NaN Bohr, norm: NaN
The number of points in three directions is 0 0 0 Total: 0
Note: Virtual orbitals higher than LUMO+9 have been temporarily discarded for saving computational time
Note: All exponential functions exp(x) with x< -40.000 will be ignored
forrtl: severe (170): Program Exception - stack overflow
Image PC Routine Line Source
Multiwfn.exe 00007FF7171343A8 Unknown Unknown Unknown
Multiwfn.exe 00007FF715E3FCF8 Unknown Unknown Unknown
Multiwfn.exe 00007FF7161FDEEE Unknown Unknown Unknown
Multiwfn.exe 00007FF71626FD00 Unknown Unknown Unknown
Multiwfn.exe 00007FF716105CDC Unknown Unknown Unknown
Multiwfn.exe 00007FF7161FA5F6 Unknown Unknown Unknown
Multiwfn.exe 00007FF716E6D562 Unknown Unknown Unknown
Multiwfn.exe 00007FF7171345B4 Unknown Unknown Unknown
KERNEL32.DLL 00007FFC42B57C24 Unknown Unknown Unknown
ntdll.dll 00007FFC4442D721 Unknown Unknown Unknown
ps:有添加晶胞信息和价层电子请教公社各位大佬是否有遇见过这种问题，可否帮小弟我解答一下
