Hi,
in EPR g tensor computations with spin-orbit relativistic ZORA, I
sometimes get after PTBAS
WARNING: (slightly) inaccurate eta integral(s)
BAD ETA INTEGRALS
followed by a program exit. Sometimes this can be cured by using an
different basis set, sometimes not. Does anybody know this problem? Is
there a workaround?
Kind regards
Gunnar
-- Dr. Gunnar Jeschke Max Planck Institute for Polymer Research Postfach 3148 55021 Mainz Germany Tel.: +49-6131-379 126 Fax: +49-6131-379 100 e-mail: jeschke_at_mpip-mainz.mpg.de Homepage: http://www.mpip-mainz.mpg.de/~jeschkeReceived on 2002-06-12 13:35:21
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