%YAML 1.2
---

siesta:
  version: "5.0.0-beta1-12-gef6c8d366"
  arch: "----"
  compiler: "GNU-11.2.1"
  fflags: "-I/scratch/software/packages/intel/mkl/2023.1.0/include -fallow-argument-mismatch;-O3 -march=native"
  fppflags: "----"
  libs: "----"
  build: "mpi"
  openmp: "no"
  gemm3m: "yes"
  netcdf: "yes"
  netcdf4: "yes"
  netcdf4_mpi: "no"
  metis: "no"
  chess: "no"
  elpa: "no"
  flook: "no"
  pexsi: "no"

energies:
  Ebs:          -0.43753316E+02
  Eions:           0.26941965E+03
  Ena:           0.29038611E+02
  Ekin:           0.13834890E+03
  Enl:          -0.51693183E+02
  Eso:           0.00000000E+00
  Edftu:           0.00000000E+00
  DEna:           0.72927261E+00
  DUscf:           0.60412318E+00
  DUext:           0.00000000E+00
  Exc:          -0.13669312E+03
  Ecorrec:           0.00000000E+00
  Emadel:           0.00000000E+00
  Emeta:           0.00000000E+00
  Emolmec:           0.00000000E+00
  Ekinion:           0.00000000E+00
  Eharris:          -0.28908505E+03
  Etot:          -0.28908505E+03
  FreeEng:          -0.28908505E+03

...