polarization
Posted: Wed Jan 09, 2019 11:42 pm
hi
I am a new in abinit. i have atempt to compute polarization . i have use the code telast_4 from abinit.the code give the good result .
my problem is the calcul of the total polarization. I have not found this value -0.745589 C/m2 from this calculation
Polarization -1.578272218E-11 C/m^2
Polarization 1.578207434E-11 C/m^2
Polarization -2.979936062E-01 C/m^2
Polarization -1.577757536E-11 C/m^2
Polarization 1.577753205E-11 C/m^2
Polarization -2.981427239E-01 C/m^2
thanks
I am a new in abinit. i have atempt to compute polarization . i have use the code telast_4 from abinit.the code give the good result .
my problem is the calcul of the total polarization. I have not found this value -0.745589 C/m2 from this calculation
Polarization -1.578272218E-11 C/m^2
Polarization 1.578207434E-11 C/m^2
Polarization -2.979936062E-01 C/m^2
Polarization -1.577757536E-11 C/m^2
Polarization 1.577753205E-11 C/m^2
Polarization -2.981427239E-01 C/m^2
thanks