&GLOBAL
  PRINT_LEVEL LOW
  PROJECT Li_gcscf
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    LSD
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
      REL_CUTOFF 40
    &END MGRID
    &PLANAR_COUNTER_CHARGE ON
      DIST_EDGE 1.5
      GAU_C 1.5
      PARALLEL_PLANE XY
    &END PLANAR_COUNTER_CHARGE
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &SCF
      ADDED_MOS 10
      CHOLESKY INVERSE
      EPS_SCF 1.0E-9
      MAX_SCF 100
      &DIAGONALIZATION
        ALGORITHM STANDARD
      &END DIAGONALIZATION
      &GCE ON
        MIXING_COEF 0.3
        TARGET_WORKFUNCTION [eV] 4.5
      &END GCE
      &MIXING
        ALPHA 0.1
        METHOD NEW_PULAY_MIXING
        NBROYDEN 5
        QK 1
        QKAPPA 0.25
        QM 0.75
      &END MIXING
      &SMEAR ON
        ELECTRONIC_TEMPERATURE [K] 300
        METHOD FERMI_DIRAC
      &END SMEAR
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 9.0 6.0 10.0
      PERIODIC XYZ
    &END CELL
    &COORD
      Li   1.5   1.5   0.9
      Li   4.5   1.5   0.9
      Li   7.5   1.5   0.9
      Li   1.5   4.5   0.9
      Li   4.5   4.5   0.9
      Li   7.5   4.5   0.9
    &END COORD
    &KIND Li
      BASIS_SET DZVP-MOLOPT-SR-GTH-q3
      POTENTIAL GTH-LDA-q3
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
