Re: CCL:MOLEKEL



 Hi Virginie,
 In order to visualize MO, you should run your Gaussian job with the
 keywords GFPRINT and POP=REG or POP=FULL, so that Molekel can read the
 basis sets and the coefficients of the MOs.
 Best regards
 Pablo
  On Fri, 10 May 2002
 v.lemierre |-at-| etud.univ-pau.fr wrote:
 > Hello,
 >
 > I write you because I have some problems with the utilisation of molekel.
 > Indeed, I look for a good visualization of molecular orbitals. So in menu
 > compute, I select an orbital from the list, I save the data in a macu file
 and
 > I set the job priority. At this moment, in log info it is written :
 "can't read
 > the basis-set. I don't understand why I can't visualize molecular orbitals.
 >
 >
 > Best regards
 >
 > PS: I work with Gaussian 98
 >
 >
 > VIRGINIE LEMIERRE
 > (v.lemierre |-at-| etud.univ-pau.fr)
 >
 >
 >
 >
 >
 > VIRGINIE LEMIERRE
 > (v.lemierre |-at-| etud.univ-pau.fr)
 >
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 >
 --------------------------------------------------------------------------------
 Pablo Vitoria Garcia
 Address:    Dpto. Quimica Inorganica, Facultad de Ciencias
             Universidad del Pais Vasco (UPV/EHU)
             Apartado 644, E-48080 Bilbao
             SPAIN
 e-mail:     qibvigap |-at-| lg.ehu.es
 Phone:     +34 94 6012000 Ext. 5529
 Fax:       +34 94 4648500
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