Fellow Colleagues,
        I have run an ADF 1999.02 calculation with some ghost hydrogen orbitals,
but I get a POSITIVE charge on the ghost orbitals and negative occupancy!
Any help?

here is the relevant output section-

 =======================================
 M U L L I K E N P O P U L A T I O N S
 =======================================
  
 The survey below gives for each atom:
 a) the total charge (Z minus electrons)
 b) the net spin polarization (nr of electrons spin-A minus spin-B)
 c) for each spin the atomic electron valence density (integrated) per L-value.

 Atom Charge Spin density S P D
F
 ---- ------ ------------ ------ ------ ------
------
 1 U -3.6247 4.9189 5.5389 5.0253
2.1416
 2 U -3.6247 4.9189 5.5389 5.0253
2.1416
 3 O -0.9346 1.8992 5.0192 0.0146
0.0016
 4 O -0.9346 1.8992 5.0192 0.0146
0.0016
 5 O -0.9346 1.8992 5.0192 0.0146
0.0016
 6 O -1.0271 1.8962 5.1166 0.0128
0.0015
 7 O -1.0271 1.8962 5.1166 0.0128
0.0015
 8 O -0.9346 1.8992 5.0192 0.0146
0.0016
 9 O -1.0271 1.8962 5.1166 0.0128
0.0015
 10 O -1.0271 1.8962 5.1166 0.0128
0.0015
 11 O -0.9796 1.8920 5.0738 0.0123
0.0015
 12 O -0.9796 1.8920 5.0738 0.0123
0.0015
 13 O -0.9796 1.8920 5.0738 0.0123
0.0015
 14 O -0.8017 1.9063 4.8701 0.0231
0.0022
 15 O -0.9796 1.8920 5.0738 0.0123
0.0015
 16 O -0.8017 1.9063 4.8701 0.0231
0.0022
 17 Gh.H 0.3088 -0.2863 -0.0225 0.0000
0.0000
 18 Gh.H 0.3088 -0.2863 -0.0225 0.0000
0.0000

-- 
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Department of Chemistry,  Fax: +44 (0)118 9316331
University of Reading,    mailto:d.w.price_at_reading.ac.uk
Whiteknights, 
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