[DFTB-Plus-User] Question about molecular orbital

[Xuechen Zheng]

Dear all,

 

 I would like to output the molecular orbital coefficient but I failed to find them in the output files. Could you tell me that how can I get the coefficient? 




 Thanks ! 





Xuechen Zheng

Department of Chemistry

Zhejiang University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20171117/39a41069/attachment.html>