#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 ../../../data/BASIS_SET
    POTENTIAL_FILE_NAME ../../../data/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 2VAL 8.0 ${VAL}
@IF ${2VAL}
@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 ${2VAL} ${VAL} 
    &END CELL
    &COORD
    H     0.000000  0.000000  0.000000
    H     1.000000  0.000000  0.000000
    &END COORD
    &KIND H
      BASIS_SET DZV-GTH-${DFT}
      POTENTIAL GTH-${DFT}-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2-inpp
  PRINT_LEVEL MEDIUM
&END GLOBAL
