[Wannier] how to calculate fermi surface with VASP and WANNIER90

[刘仕晨]

Dear All:


    I've just started to use the wannier90 code, and having a little problem. so, I would appreciate very much if you could give me a little bit of suggestions.
    I want to know how to calculate fermi surface with VASP and WANNIER90, I failed to get a good result for some metals.
    It is my steps:
    1. run scf with VASP
    INCAR : 
             LWANNIER90 = .TRUE.
             
             ISYM=-1
    KPOINTS: 
            Gamma-centered Monkhorst-Pack grid
            0
            G
            20  20  20
            0   0   0
    2. run wannier90.x
    wannier90.win:
   
    num_wann =    24  ! set to NBANDS by VASP


    use_bloch_phases = T
  
    num_iter = 10000
    num_print_cycles = 500
    fermi_energy = 2.51449163
    fermi_surface_plot = true
    fermi_surface_num_points = 50


    mp_grid =    20    20    20
 
    I'm looking forward to hearing your suggestions. Thanks.
Best Shi-Chen Liu


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Address: Department of Physics, Soochow University, No. 001, Shizi Road, Suzhou, Jiangsu province, China
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