Dear ADF users,

I'm trying to evaluate excitation energies in solvent using
the COSMO implementation and the slaterdeterminant
feature.

However, after having evaluated the evaluated the energy of
one slaterdeterminant, the program still aborts with a
not_very_very_speaking message. The message below comes from
the logfile:

 <Mar01-2001> <04:55:40> Symmetry : C(2)
 <Mar01-2001> <04:55:41> >>>> FRAGM
 <Mar01-2001> <04:55:44> >>>> SURPTS
 <Mar01-2001> <04:55:47> >>>> CORORT
 <Mar01-2001> <04:55:54> >>>> FITINT
 <Mar01-2001> <05:01:08> >>>> CLSMAT
 <Mar01-2001> <05:01:52> >>>> ORTHON
 <Mar01-2001> <05:04:26> >>>> CRTP12
 <Mar01-2001> <05:04:29> >>>> GENPT
 <Mar01-2001> <05:04:30> Acc.Num.Int.= 4.000
 <Mar01-2001> <05:04:42> Block Length= 64
 <Mar01-2001> <05:04:44> >>>> PTCOR
 <Mar01-2001> <05:04:54> >>>> PTBAS
 <Mar01-2001> <05:49:42> >>>> CYCLE
 <Mar01-2001> <05:52:23> >>>> COREPS
 <Mar01-2001> <06:06:07> >>>> TOTEN
 <Mar01-2001> <09:41:10> >>>> AMETS
 <Mar01-2001> <09:43:01> Bond Energy LDA -0.23215083 a.u.
 <Mar01-2001> <09:43:01> Bond Energy LDA -6.31714804 eV
 <Mar01-2001> <09:43:01> + GGA-X -0.23180310 a.u.
 <Mar01-2001> <09:43:01> + GGA-X -6.30768578 eV
 <Mar01-2001> <09:43:01> + GGA-XC -0.23265637 a.u.
 <Mar01-2001> <09:43:01> + GGA-XC -6.33090447 eV
 <Mar01-2001> <09:43:01> >>>> CYCLE
 <Mar01-2001> <09:43:40> kfcrsc: Section already exists : COSMO
 <Mar01-2001> <09:43:40> WARNING: not all scratch files were closed
 <Mar01-2001> <09:43:40> END

Does someone experience such a problem ? Is this a bug ? If so, does
there exist a patch or a workaround ?

I thank you in advance for your answers.

Best regards.

L. M. Lawson Daku

-- 
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Latevi Max LAWSON DAKU 
Departement de chimie physique
Laboratoire de photophysique et photochimie 
des composes de metaux de transition
Universite de Geneve -- Sciences II
30, quai Ernest-Ansermet  
CH-1211 Geneve 4 
Switzerland 
Tel: (41) 22/702 6548 ++ Fax: (41) 22/702 6103
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