[CPMD-list] Question

Pinilla Castellanos Carlos carlospi at estudiantes.fisica.unal.edu.co
Mon Jul 14 23:09:16 CEST 2003


In the Kohn-Sham energies, I have the following output file

........................................... 
   Kohn-Sham energies
   273     -2.3933041NC   2.000      274     -2.2976590NC   2.000
   275     -2.1840810NC   2.000      276     -2.1469507NC   2.000
   277     -1.9491218NC   2.000      278     -1.7301004NC   2.000
   279     -1.3792735NC   2.000      280     -1.3078462NC   2.000
   281     -1.1192683NC   2.000      282     -1.0102267NC   2.000
   283     -0.6190014NC   2.000      284     -0.4036707NC   2.000
   285     -0.3121118NC   2.000      286     -0.1649033NC   2.000
   287      0.0153771NC   2.000      288      0.1742432NC   2.000
   289      0.2419758NC   0.000
 CHEMICAL POTENTIAL =                             0.1742423776 E

What is NC into the values of energy.

The best wishes cpmd-list and thanks for your help

Carlos




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