Dear ADF-User
I optimised a Platinum-complex and wanted to calculate, in addition,
the spinorbit energy of this complex, as this is reasonable for
Platinum. I have done this in the past, so there should be no problem.
Alas, now I ran into this errormessage.
Has anybody seen this, and knows how to handle it?
Errormessage from Output
! Test of Precision of the Numerical Integration Grid
! ===================================================
!
! Integral of the Total Core Density: 80.00070876736412
! Relative Error: 8.860E-06
!
!
! Norms of analytically-normalized, symmetry-adapted basis functions (SBAS)
! -------------------------------------------------------------------------
!
! Max. Error over all functions : 3.172E-03
! r.m.s. Error : 2.752E-04
!1
! ***************************************************************************************************
!
! A D F E X I T
!
! BAD ETA INTEGRALS
Error Message in Logfile
! <Apr17-99> <08:39:50> >>>> PTBAS
! <Apr17-99> <10:35:53> BAD ETA INTEGRALS
Received on 1999-04-17 11:03:37
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