[CPMD-list] WARNING FROM DETDOF: WHY IS GLIB LESS THAN UNITY

[Martin Konopka]

Dear CPMD community,

I found a warning in the standard output file produced by CPMD 3.9.1
when I calculate just single aluminum atom. I am using Goedecker PBE
pseudopotential. The warning and my input file are below. Has anyone
knowledge if it is only an unimportant warning or is it something
more serious? I also noticed that there is no such a warning for Al2
molecule.
Thanks.

Best regards
Martin Konopka.


 ****************************************************************
 *                      ATOMIC COORDINATES                      *
 ****************************************************************
       1      Al           9.448630       9.448630       9.448630
 ****************************************************************

  !! WARNING FROM DETDOF: WHY IS GLIB LESS THAN UNITY !!
  !! WARNING FROM DETDOF: NOW IT IS SET EQUAL TO UNITY !!

 DEGREES OF FREEDOM FOR SYSTEM:                                 1



&CPMD
  RESTFILE
    4
  STORE
    100
  OPTIMIZE WAVEFUNCTIONS
  CONVERGENCE ORBITALS
    5.0D-7
  SPLINE POINTS QFUNCTIONS
    2001
  CENTER MOLECULE OFF
  MEMORY BIG
&END

&DFT
  NEWCODE
  GRADIENT CORRECTION PBEX PBEC
  GC-CUTOFF
    0.1D-6
&END

&SYSTEM
  SYMMETRY
    0
  POISSON SOLVER TUCKERMAN
  ANGSTROM
  CELL
    10.0D0  1.0D0  1.0D0  0.0D0  0.0D0  0.0D0
  CUTOFF
    50.0D0
  TESR
    4
&END

&ATOMS
*Al-q3
   LMAX=D
   1
   5.0D0  5.0D0  5.0D0
&END


------------------------------------------------------------------------
Dr. Martin Konopka             http://www.ccms.elf.stuba.sk/konopka.html
Department of Physics, CCMS                      tel: +421 (0)2 60291714
Slovak University of Technology (FEI STU)        fax: +421 (0)2 65411483
Ilkovicova 3, 812 19 Bratislava, Slovakia
------------------------------------------------------------------------