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General Questions and Answers / Back ground charge and the corrections in the charged systems
« on: December 10, 2014, 14:08 »
Dear all,
when we apply the net chareg in quantum-wise do we have the same amount of background charge to neutralized it.
as far as i know about SIESTA when we apply the net charge (NetCharge = 1 ) there have two things
1. the Madelung correction
2. applying the SimulateDoping .true.
the Madelung correction term (automatically applied) only can be applicable for the (SC, BCC, and FC).
the 2nd option we use as to simulate the impurity..
(Infect I am confused about SIESTA also)
What we have here in quantum-wise can some body help me
when we are giving the net charge is background charge is applied automatically.
is there any correction terms ?
what is the theory ? is there any reference ie. tutorial or some background theory manual.
cheers
umar farooq
when we apply the net chareg in quantum-wise do we have the same amount of background charge to neutralized it.
as far as i know about SIESTA when we apply the net charge (NetCharge = 1 ) there have two things
1. the Madelung correction
2. applying the SimulateDoping .true.
the Madelung correction term (automatically applied) only can be applicable for the (SC, BCC, and FC).
the 2nd option we use as to simulate the impurity..
(Infect I am confused about SIESTA also)
What we have here in quantum-wise can some body help me
when we are giving the net charge is background charge is applied automatically.
is there any correction terms ?
what is the theory ? is there any reference ie. tutorial or some background theory manual.
cheers
umar farooq