property=zeff

length_unit = angstrom

atom_list = 1 2 3
mesh1 = 6 6 15
mesh2 = 6 6 15
mesh3 = 6 6 15

# phase, ekcalの指定を絶対パスに書き換えてください。
scf_command = mpiexec -n NP ../../../../../../bin/phase ne=NE nk=NK
berry_command = mpiexec -n NP ../../../../../../bin/ekcal ne=NE_B nk=1
np   = 2
ndir = 1
ne   = 1
nk   = 2
ne_b = 2

a_vector =  4.1770 2.0885 2.0885
b_vector =  2.0885 4.1770 2.0885
c_vector =  2.0885 2.0885 4.1770

