[Wien] What is the meaning of NECxx in case.scf ?

panzhijun2002 panzhijun2002 at sjtu.edu.cn
Mon Apr 11 16:36:38 CEST 2005


Hi,all users of wien2k:
   What is the meaning of the row in the file of case.scf?
   
  :NEC01: NUCLEAR AND ELECTRONIC CHARGE  720.00000 719.99823   1.00000

   You know the result of 720.00000 minus 719.99823 is 0.00177.However,the last item of the listed row of case.scf is 1.00000.Why? 
  
   Best regards.

 



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