Hallo!!

Is there anybody who ever had an interruption like the following?

<Aug05-98> <12:40:30> ADF 2.2.1 RunTime: Aug05-98 12:40:30
 <Aug05-98> <12:40:30> Molybdenum (IV, 3d frozen)
 <Aug05-98> <12:40:30> RunType : CREATE
 <Aug05-98> <12:40:30> Net Charge: 0 (Nuclei minus Electrons)
 <Aug05-98> <12:40:30> Symmetry : ATOM
 <Aug05-98> <12:40:30> WARNING: dSTEBZ (1) inaccurate
 <Aug05-98> <12:40:30> WARNING: dSTEBZ (1) inaccurate
 <Aug05-98> <12:40:30> WARNING: dSTEBZ (1) inaccurate
 <Aug05-98> <12:40:30> WARNING: dSTEBZ (1) inaccurate
 <Aug05-98> <12:40:31> >>>> CORORT
 <Aug05-98> <12:40:31> SINGULAR MATRIX, NO INVERSE
 <Aug05-98> <12:40:31> WARNING: not all scratch files were closed
 <Aug05-98> <12:40:31> archec: can't find IB2TIDS
 <Aug05-98> <12:40:31> END

In the CREATE modus of the atoms the atomical TAPE21 files are not
generated properly for all atoms.
Anyone knows what's wrong?

Elke
Received on 1998-08-05 15:20:03