polarization

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polarization

Postby AEK » Thu Jan 10, 2019 12:42 am

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
AEK
 
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