您好,我下载了GaussSum-1.0.5,想计算其电子吸收光谱,但是点了UVVis.py进去后出现
Starting UVVis.py
Finding the number of the HOMO
No electronic transitions found!.
得不到与文献相同的图,其实我的根本就出现不了光谱图
你好,我下载了gausssum软件,解压后用不了,出现
see the logfile" c :\documents and settings\administrator\桌面\gausssumexe-2.2.6.1(1)\gausssumexe-2.2.6.1\gausssum.exe.log"for details.