[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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