Reading from /public/.ys-full-function-20261027/wave24-gpaw/fe-fm/state.gpw
Read dipole, energy, forces, free_energy, magmom, magmoms, non_collinear_magmom, non_collinear_magmoms
  __  _  _
 | _ |_)|_||  |
 |__||  | ||/\| - 26.7.0

User:   root@login01
Date:   Wed Oct 28 00:07:35 2026
Arch:   x86_64
Pid:    837706
CWD:    /public/.ys-full-function-20261027/wave24-gpaw/response-soc
units:  Angstrom and eV
cores:  1
OpenMP: True

Versions:
  Python: 3.11.16
  ASE:    3.29.0
  Numpy:  2.3.5
  Scipy:  1.16.3
  Libxc:  7.0.0

Paths:
  gpaw:  /public/toolkit/miniconda3/envs/gpaw-26.7.0-8173m/lib/python3.11/site-packages/gpaw
  _gpaw: /public/toolkit/miniconda3/envs/gpaw-26.7.0-8173m/lib/python3.11/site-packages/
        _gpaw.cpython-311-x86_64-linux-gnu.so
  ase:   /public/toolkit/miniconda3/envs/gpaw-26.7.0-8173m/lib/python3.11/site-packages/ase
  numpy: /public/toolkit/miniconda3/envs/gpaw-26.7.0-8173m/lib/python3.11/site-packages/numpy
  scipy: /public/toolkit/miniconda3/envs/gpaw-26.7.0-8173m/lib/python3.11/site-packages/scipy

Git-hashes:

OMP_NUM_THREADS: 1


Environment variables:
  GPAW_CPUPY:          False
  GPAW_DEBUG:          False
  GPAW_MPI_BACKEND:    serial
  GPAW_MPI_OPTIONS:    None
  GPAW_NO_C_EXTENSION: False
  GPAW_NO_GPU_MPI:     False
  GPAW_SETUP_PATH:     /public/software/gpaw/datasets/26.8.0
  GPAW_TRACE:          False
  GPAW_USE_GPUS:       False

Input parameters:
  mode=PW(ecut=250.0),
  convergence={'energy': 1e-06, 'density': 1e-05, 'eigenstates': 1e-08},
  kpts=MonkhorstPack(size=array([3, 3, 3])),
  maxiter=200,
  nbands=24,
  occupations=Occupations(name='fermi-dirac', width=0.05, fixmagmom=False),
  parallel={},
  xc=XC(name='PBE')

timing:  # [seconds]
  Total: 0.426  # ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━

Max RSS: 131.480  # MiB
