[CPMD-list] How to get to HOMO&LUMO information

Yang Zhenyu yangzy at lnm.imech.ac.cn
Sat Nov 12 13:50:55 CET 2005


 Dear CPMD users:

      How to get the HOMO and LUMO information from the results by cpmd2cube?
      What I mean is how to give the options of comd2cube when write HOMO and LUMO.

      Could anybody enlighten me on this?
 				

¡¡¡¡¡¡¡¡¡¡¡¡¡¡
¡¡Best Regards

¡¡Yang Zhenyu				
  State Key Laboratory of Nonlinear Mechanics (LNM)
  Institute of Mechanics, Chinese Academy of Sciences
  No.15 Beisihuanxi Road
  Beijing 100080, P. R. China
  FAX: 010-62579511
¡¡yangzy at lnm.imech.ac.cn
¡¡2005-11-12





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