标题: 关于使用Multiwfn程序绘制DOS图 [打印本页] 作者Author: songkaibuct 时间: 2015-10-8 17:38 标题: 关于使用Multiwfn程序绘制DOS图 大家好，对于手册4.10里面的N-phenylpyrrle的DOS图的绘制file:///C:\Users\Administrator\AppData\Roaming\Tencent\Users\1137944179\QQ\WinTemp\RichOle\(4TLV1%IT6H1L7X9%R~}JIT.pngfile:///C:\Users\Administrator\AppData\Roaming\Tencent\Users\1137944179\QQ\WinTemp\RichOle\(4TLV1%IT6H1L7X9%R~}JIT.pngpx atiomic orbital 的时候； ①讲义里面讲分子在YZ平面上，跟绘制N原子的file:///C:/Users/Administrator/AppData/Roaming/Tencent/Users/1137944179/QQ/WinTemp/RichOle/(4TLV1%IT6H1L7X9%R~%7DJIT.pngfile:///C:/Users/Administrator/AppData/Roaming/Tencent/Users/1137944179/QQ/WinTemp/RichOle/(4TLV1%IT6H1L7X9%R~%7DJIT.pngpx atiomic orbital 有联系吗？
②在study PDOS/OPDOS of π orbitals of pyrrole and phenyl moieties and want to get rid of effect of all other MOs的时候在选定片段的原子序列数还之后再选择所有范围内的基函数
