# ================================================================================
# grogupy version: 1.0.0
# Input file: /Users/danielpozsar/Downloads/Cr3_new/Cr3.fdf
# ================================================================================
# SLURM job ID: Could not be determined.
# Architecture: CPU
# Number of nodes in the parallel cluster: 1
# Parallelization is over: K
# Solver used for Greens function calculation: Sequential
# Solver used for Exchange tensor: grogupy
# Solver used for Anisotropy tensor: grogupy
# ================================================================================
# Cell [Ang]:
# 1.442498074906033700e+01 -2.498479955557547072e+01 0.000000000000000000e+00
# 1.442498074906033700e+01 2.498479955557547072e+01 0.000000000000000000e+00
# 0.000000000000000000e+00 0.000000000000000000e+00 2.884996149812067401e+01
# ================================================================================
# DFT axis: [0 0 1]
# Quantization axis and perpendicular rotation directions:
# [1 0 0] --> [array([0, 1, 0]), array([0, 0, 1]), array([0.        , 0.70710678, 0.70710678])]
# [0 1 0] --> [array([1, 0, 0]), array([0, 0, 1]), array([0.70710678, 0.        , 0.70710678])]
# [0 0 1] --> [array([1, 0, 0]), array([0, 1, 0]), array([0.70710678, 0.70710678, 0.        ])]
# ================================================================================
# Parameters for the Brillouin zone sampling:
# Number of k points: 1
# k point directions: xy
# Parameters for the contour integral:
# Eset: 100
# Esetp: 10000
# Ebot: -8.074511730000001        WARNING: This was automatically determined!
# Etop: -0.0004069850000001374        WARNING: This was automatically determined!
# ================================================================================
#
================================================================================
cell Angstrom
1.442498074906033700e+01 -2.498479955557547072e+01 0.000000000000000000e+00
1.442498074906033700e+01 2.498479955557547072e+01 0.000000000000000000e+00
0.000000000000000000e+00 0.000000000000000000e+00 2.884996149812067401e+01
================================================================================
atoms Angstrom
name	x	y	z	Sx	Sy	Sz	# Q
0Cr(l:2) 0.0 -1.4424980749060339 0.0 -1.0593177585904456e-12 -1.4289746865664986e-12 4.80140906311199 # 4.846025669836496
1Cr(l:2) 0.0 1.4424980749060339 0.0 -4.2737690489659345e-13 1.110306901593093e-12 4.801409066542503 # 4.846025674387297
2Cr(l:2) 2.4984799555575465 0.0 0.0 1.4660542122873607e-12 3.0688125752623504e-13 4.8014090793778905 # 4.846025604753774
================================================================================
notation
double-counting True
spin-normalized True
exchange-factor 0.5
on-site-factor 1
================================================================================
exchange meV
--------------------------------------------------------------------------------
0Cr(l:2) 1Cr(l:2) 0 0 0 # distance [Ang]: 2.8849961498120678
isotropic 148.44855662924292
DMI 0.0005591999341346235 0.000131677600068413 -14.26756037934377 # Dx Dy Dz
symmetric-anisotropy 0.7325281367458842 -1.4654309229243838 -14.267560384234931 -0.00013167776236530478 0.0005591999629902185 # Sxx Syy Sxy Sxz Syz
--------------------------------------------------------------------------------
2Cr(l:2) 0Cr(l:2) 0 0 0 # distance [Ang]: 2.8849961498120673
isotropic 148.46881147213594
DMI 0.00023854269076178743 0.0004523024269779385 -14.26739325791452 # Dx Dy Dz
symmetric-anisotropy 0.8478039572287344 -1.551954603718201 -14.229282276888522 -0.0018996598330474756 -0.0012086466133019026 # Sxx Syy Sxy Sxz Syz
--------------------------------------------------------------------------------
1Cr(l:2) 2Cr(l:2) 0 0 0 # distance [Ang]: 2.8849961498120673
isotropic 148.4688144644301
DMI 0.00023854267264914814 0.00045230269554163695 -14.267391824334874 # Dx Dy Dz
symmetric-anisotropy 0.847800871130886 -1.5519484322375092 -14.305502837808476 0.000995055037134512 0.0016857321071327065 # Sxx Syy Sxy Sxz Syz
--------------------------------------------------------------------------------
================================================================================
on-site meV
--------------------------------------------------------------------------------
0Cr(l:2)
-0.11606723967241829 -0.15156010044292678 0.0 0.04295975204487989 0.0014454952844966673 0.0014443747095582715 # Kxx Kyy Kzz Kxy Kxz Kyz
--------------------------------------------------------------------------------
1Cr(l:2)
-0.1160672394972806 -0.15156009694630712 0.0 -0.04295972255435876 -0.0014454947820374822 -0.0014443748665993186 # Kxx Kyy Kzz Kxy Kxz Kyz
--------------------------------------------------------------------------------
2Cr(l:2)
-0.16926432615158027 -0.0982796452407564 0.0 2.3635315926640033e-08 -7.793765632868599e-10 -2.0766721675613553e-10 # Kxx Kyy Kzz Kxy Kxz Kyz
--------------------------------------------------------------------------------
================================================================================
