hi

 is the BAND input comptatible with the ALL-ELECTRON ZORA BASIS (STO) of
QZ4P quality enclosed in the directory $ADFHOME/atomicdata/ZORA/QZ4P
supposedly built up for ADF-molecular?

in other words, can i include the file for the element in that directory
in full, as it is with no changes?

i would appreciate any hint on this

Manolo

PS trying La, for which an all-electron calculation is desirable

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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 2003-06-10 18:26:14