&GLOBAL
  PRINT_LEVEL low
  PROJECT Ne
  RUN_TYPE energy
&END GLOBAL

&FORCE_EVAL
  METHOD quickstep
  &DFT
    BASIS_SET_FILE_NAME ./stuttgart_rlc.cp2k
    CHARGE 0
    MULTIPLICITY 1
    POTENTIAL_FILE_NAME ./stuttgart_rlc.cp2k
    UKS false
    &MGRID
      CUTOFF 120
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC none
      PSOLVER analytic
    &END POISSON
    &PRINT
      &TREXIO
        FILENAME Ne_atom
      &END TREXIO
    &END PRINT
    &QS
      EPS_DEFAULT 1.0e-12
      METHOD gpw
    &END QS
    &SCF
      ADDED_MOS -1
      EPS_SCF 1.0e-5
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 6
      SCF_GUESS atomic
      &MIXING
        ALPHA 0.50
        METHOD direct_p_mixing
      &END MIXING
      &PRINT
        &RESTART off
        &END RESTART
      &END PRINT
    &END SCF
    &XC
      &XC_FUNCTIONAL pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10 10 10
      PERIODIC none
    &END CELL
    &COORD
      Ne    0.00000    0.00000    0.00000
    &END COORD
    &KIND Ne
      BASIS_SET Stuttgart_RLC
      ELEMENT Ne
      POTENTIAL ecp Stuttgart_RLC_ECP
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
