hi

 this seems to me like a bug, however i am not sure there
is a limit to the value of this variable (probably too high here):

 when employing ACCURACY 10 for a small cubic cell, a response
calculation crashes just from the beginning of the tcdft part
(all the ground state single point calculation is completed),
it crashes just after the large banner is being printed out (TDDFT program
part in ADF-BAND)

 messages:

 new error mess. : "wrong nr. of eigenvalues"
 new warning mess.: "WARNING: dSTEBZ (1) inaccurate"
 familiar warning mess:"*** WARNING: Norm of basis functions inaccurate
                        (please note the ACCURACY 10 setting!)

just in case this is of any help, the input and std output files have been
enclosed.

regards

Manolo

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 Manuel Perez Jigato
 Helsinki University of Technology
 Laboratory of Physics
 Room U203
 Otakaari 1M
 Otaniemi, Espoo
 P.O. Box 1100
 FIN-02015 HUT
 Finland

 Tel: +358-(0)9-451 3107
 Fax: +358-(0)9-451 3116
 E-mail: mpj_at_fyslab.hut.fi
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"Nobody tells me what to think, except Mrs. Pauling."
                                                        Linus Pauling
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Received on 2003-06-11 16:39:45