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

[Yang Zhenyu]

Dear Apsi

	Thanks very much for your detail reply!
    This is really what I want.
    And I also want to know how to use cpmd2cube to write the HOMO and LUMO into cube files.
 Something like" cpmd2cube.x -o file-homo -dens *.*" . What options should be given to cpmd2cube.



¡¡¡¡¡¡¡¡¡¡¡¡¡¡
¡¡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