#CPQA INCLUDE scf_param.inc
#CPQA INCLUDE blank.inc
#CPQA INCLUDE inc_inc.inc
#CPQA INCLUDE empty.inc
! -*- cp2k -*-
@SET VAL 4.0
@SET inc empty
@SET new blank
@SET      X !  y
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    LSD
    &MGRID
      CUTOFF 140
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-8
    &END QS
    @PRINT VAL == ${VAL} /= ${inc} /= ${new}
    @  ! ignored
    @INCLUDE "${new}.inc"
    @INCLUDE '${inc}.inc'
    @INCLUDE "scf_param.inc"
    @IF ${inc} == empty
    @SET DFT PADE
    @ENDIF
    @IF ${inc} /= empty
    @SET DFT BLYP
    @ENDIF
    &XC
      &XC_FUNCTIONAL ${DFT}
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    @SET VAL2 8.0 ${VAL}
    @IF ${VAL2}
    @SET VAL 6.0
    @ENDIF
    @IF 1 /= 0
    @SET VAL 6.0
    @ENDIF
    @IF 0
    @SET VAL 4.0
    @ENDIF
    @IF
    XXXXXXX
    @ENDIF
    &CELL
      ABC ${VAL2} ${VAL}
    &END CELL
    &COORD
      H     0.000000  0.000000  0.000000
      H     1.000000  0.000000  0.000000
    &END COORD
    &KIND H
      BASIS_SET DZV-GTH-${DFT}
      POTENTIAL GTH-${DFT}-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL

&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2-inpp
&END GLOBAL
