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Berry phase calculation

Posted: Mon Jan 12, 2009 9:54 pm
by azurezhang
I used Berry phase calculations to calculate polarization of ferromagnetic state CuFeO2. I got different polarization depend on the setting of KPOINTS and NPPSTR. I tried NPPSTR=5, 6 , 7, 8, 9, 10, 11, 12, 13, 14, but the result still can not converge. Does anyone has encountered the same problem?

I would appreciate any recommendations you could give me.

Re: Berry phase calculation

Posted: Wed Sep 11, 2024 1:56 pm
by support_vasp

Hi,

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VASP