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I get the following error: "free(): invalid next size (fast)" and I have no idea what it means or how I can solve it.
I am running the library version of wannier90 with python and more specifically with PySCF.
This is my .win file:
"! Basic input generated by the pyWannier90. Date: Tue May 14 13:28:03 2024
num_bands = 86
num_wann = 3
Begin Unit_Cell_Cart
3.5596964 -1.7798482 0.0000000
0.0000000 3.0827876 0.0000000
0.0000000 0.0000000 2.4681773
End Unit_Cell_Cart
Begin atoms_cart
F 1.7798482 1.0275958 1.2340886
F 0.0000000 2.0551917 1.2340886
Be 0.0000000 0.0000000 0.0000000
End atoms_cart
!Additional keywords
# PBE energy window
dis_win_min = -5
dis_win_max = 9
dis_froz_max = 9
dis_froz_min = 5
num_elec_per_state=2
begin projections
random
c=1.77984822, 1.02759585, 1.23408865: px;py;pz
c=0.00000000, 2.05519170, 1.23408865: px;py;pz
end projections
guiding_centres = .TRUE.
write_u_matrices = .TRUE.
bands_plot = true
begin kpoint_path
G 0.0 0.0 0.0 A 0.0 0.0 0.5
A 0.0 0.0 0.5 L 0.0 0.5 0.5
L 0.0 0.5 0.5 M 0.0 0.5 0.0
M 0.0 0.5 0.0 G 0.0 0.0 0.0
G 0.0 0.0 0.0 K -0.333 0.667 0.0
K -0.333 0.667 0.0 H -0.333 0.667 0.5
H -0.333 0.667 0.5 A 0.0 0.0 0.5
end kpoint_path
bands_num_points 10
mp_grid = 3 3 3
begin kpoints
0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.3333333
0.0000000 0.0000000 0.6666667
0.0000000 0.3333333 0.0000000
0.0000000 0.3333333 0.3333333
0.0000000 0.3333333 0.6666667
0.0000000 0.6666667 0.0000000
0.0000000 0.6666667 0.3333333
0.0000000 0.6666667 0.6666667
0.3333333 -0.0000000 0.0000000
0.3333333 -0.0000000 0.3333333
0.3333333 -0.0000000 0.6666667
0.3333333 0.3333333 0.0000000
0.3333333 0.3333333 0.3333333
0.3333333 0.3333333 0.6666667
0.3333333 0.6666667 0.0000000
0.3333333 0.6666667 0.3333333
0.3333333 0.6666667 0.6666667
0.6666667 -0.0000000 0.0000000
0.6666667 -0.0000000 0.3333333
0.6666667 -0.0000000 0.6666667
0.6666667 0.3333333 0.0000000
0.6666667 0.3333333 0.3333333
0.6666667 0.3333333 0.6666667
0.6666667 0.6666667 0.0000000
0.6666667 0.6666667 0.3333333
0.6666667 0.6666667 0.6666667
End Kpoints
"
The text was updated successfully, but these errors were encountered:
Hello everyone,
I get the following error: "free(): invalid next size (fast)" and I have no idea what it means or how I can solve it.
I am running the library version of wannier90 with python and more specifically with PySCF.
This is my .win file:
The text was updated successfully, but these errors were encountered: