&GLOBAL
  PRINT_LEVEL LOW
  PROJECT H2-admm-rtp
  RUN_TYPE RT_PROPAGATION
&END GLOBAL

&EXT_RESTART
  RESTART_FILE_NAME H2-admm-rtp-1.restart
&END EXT_RESTART

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 4
    TEMPERATURE 300.0
    TIMESTEP [au_t] 0.25
  &END MD
  &PRINT
    &TRAJECTORY
      &EACH
        MD 1
      &END EACH
    &END TRAJECTORY
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD QUICKSTEP
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    BASIS_SET_FILE_NAME BASIS_ADMM
    POTENTIAL_FILE_NAME POTENTIAL
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD NONE
      METHOD BASIS_PROJECTION
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &MGRID
      CUTOFF 100
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &REAL_TIME_PROPAGATION
      EPS_ITER 1.0E-9
      INITIAL_WFN SCF_WFN
      MAT_EXP TAYLOR
      MAX_ITER 5
    &END REAL_TIME_PROPAGATION
    &SCF
      EPS_SCF 1.0E-3
      MAX_SCF 60
      SCF_GUESS ATOMIC
      &OT ON
        ROTATION
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-3
      &END OUTER_SCF
    &END SCF
    &XC
      &HF
        &INTERACTION_POTENTIAL
          CUTOFF_RADIUS 2.5
          POTENTIAL_TYPE TRUNCATED
        &END INTERACTION_POTENTIAL
        &SCREENING
          EPS_SCHWARZ 1.0E-14
        &END SCREENING
      &END HF
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
    &END CELL
    &COORD
      H  6.000000   4.5000000   6.000000
      H  6.000000   1.5000000    6.000000
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PBE
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PBE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
