&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME ./BASIS_SET
    POTENTIAL_FILE_NAME ./POTENTIAL
    CHARGE 0
    &MGRID
      CUTOFF 310
    &END MGRID
    &QS
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 2
    &END QS
    &SCF
      CHOLESKY OFF
      SCF_GUESS ATOMIC
      EPS_SCF 3.0E-6
      MAX_SCF 30
      &OUTER_SCF
         EPS_SCF 3.0E-6
         MAX_SCF 20
      &END
      &OT
         MINIMIZER DIIS
         PRECONDITIONER FULL_ALL
         ENERGY_GAP 0.01
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL
       &PBE
       &END
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 14.000 14.000 14.000
      PERIODIC XYZ
    &END CELL
    &COORD 
C                     1.59674658    -0.38601896     1.75822304
C                     2.64542443     0.31544912     1.14423070
C                     3.92590961    -0.25640682     1.16442986
C                     4.15303469    -1.49774249     1.74201600
C                     3.09356682    -2.19318369     2.33604991
C                     1.81318486    -1.62334468     2.34542216
C                     2.47157217     1.65495404     0.54792422
C                     1.42308518     2.18365891    -0.10423015
C                     0.15532148     1.56159968    -0.53871766
C                     0.09095715     0.25827942    -1.02993898
C                    -1.12394273    -0.28015019    -1.45707764
C                    -2.29237792     0.48751190    -1.41184762
C                    -2.22911635     1.81206278    -0.93705727
C                    -1.01180755     2.34268588    -0.51570789
O                    -3.40325207     2.48260701    -0.92619895
C                    -3.41893345     3.82029814    -0.50125338
O                    -3.46855292    -0.03708478    -1.85175838
C                    -4.38639800    -0.41416218    -0.84352426
O                    -1.14971757    -1.57166880    -1.87876764
C                    -1.49671837    -1.80035522    -3.23202184
C                     3.32011804    -3.47704465     2.94366715
N                     3.50295066    -4.50717933     3.43163088
H                     0.98908209    -2.15749038     2.82152790
H                    -0.95256875     3.36897751    -0.15457305
H                     0.97745994    -0.37224495    -1.09359696
H                    -4.70503403     0.45685701    -0.24939399
H                    -5.26184568    -0.84219354    -1.35023461
H                    -0.77851500    -1.30682369    -3.91035531
H                    -1.44516213    -2.88563971    -3.39225441
H                    -2.77686632     4.45661750    -1.13461303
H                    -4.45690119     4.16621137    -0.58725961
H                    -3.94974882    -1.17636667    -0.17566239
H                    -3.09376882     3.92156451     0.54903923
H                    -2.51277062    -1.44320947    -3.45494760
H                     1.51731022     3.24087460    -0.37706296
H                     3.33876099     2.31200124     0.67568436
H                     4.75961651     0.28501344     0.71073926
H                     0.59815864     0.05100608     1.78128337
H                     5.15350490    -1.93389779     1.74089539
    &END COORD 
    &KIND H
     BASIS_SET DZVP-GTH-PBE
     POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND C
     BASIS_SET DZVP-GTH-PBE
     POTENTIAL GTH-PBE-q4
    &END KIND
    &KIND O
     BASIS_SET DZVP-GTH-PBE
     POTENTIAL GTH-PBE-q6
    &END KIND
    &KIND N
     BASIS_SET DZVP-GTH-PBE
     POTENTIAL GTH-PBE-q5
    &END KIND
  &END SUBSYS
  &PROPERTIES
   &RESP
    &SPHERE_SAMPLING
	&END
   &END RESP
  &END PROPERTIES
&END FORCE_EVAL