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.
Berry phase calculation
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azurezhang
Berry phase calculation
Last edited by azurezhang on Mon Jan 12, 2009 9:54 pm, edited 1 time in total.
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support_vasp
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Re: Berry phase calculation
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