ran Greens function distance test

class-solution
Daniel Pozsar 3 months ago
parent a0cdecc306
commit 1606faa6f5

@ -14,7 +14,7 @@ def main():
start_time = timer() start_time = timer()
# this cell mimicks an input file # this cell mimicks an input file
fdf = sisl.get_sile("../../lat3_791/Fe3GeTe2.fdf") fdf = sisl.get_sile("./lat3_791/Fe3GeTe2.fdf")
# this information needs to be given at the input!! # this information needs to be given at the input!!
scf_xcf_orientation = np.array([0, 0, 1]) # z scf_xcf_orientation = np.array([0, 0, 1]) # z
# list of reference directions for around which we calculate the derivatives # list of reference directions for around which we calculate the derivatives
@ -88,10 +88,10 @@ def main():
] ]
# Brilloun zone sampling and Green function contour integral # Brilloun zone sampling and Green function contour integral
kset = 100 kset = 20
kdirs = "xy" kdirs = "xy"
ebot = -30 ebot = -30
eset = 100 eset = 50
esetp = 1000 esetp = 1000
# MPI parameters # MPI parameters

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