#! /bin/sh

"$ADFBIN/ams" <<eor

Task SinglePoint
System
    Atoms
        Si -2.63385864 -7.19026983 -2.34438986
        Si -2.63385864 -3.35916531 -2.34438986
        Si 1.19724625 -7.19026983 -2.34438986
        Si -2.63385863 0.47193925 -2.34438986
        Si 1.19724609 -3.35916531 -2.34438986
        Si -2.63385863 4.30304380 -2.34438986
        Si 1.19724638 0.47193925 -2.34438986
        Si 1.19724621 4.30304380 -2.34438986
        Si -0.71872933 8.12650087 -0.98645421
        Si -0.71856756 -3.31591281 -0.96020197
        Si 3.11253112 8.10987029 -0.95644143
        Si -0.71899935 0.44415869 -0.95764499
        Si 3.11256272 -3.32652940 -0.97181029
        Si -0.71867819 4.35112708 -0.97616814
        Si 3.11254443 0.43031524 -0.97353831
        Si 3.11344687 4.33472204 -0.95882675
        Si -0.72132657 -5.27301464 0.29232466
        Si -0.72015812 -1.43331382 0.49488319
        Si 3.11730072 -5.26556906 0.30588317
        Si -0.71667699 2.41131846 0.29261533
        Si 3.11376411 -1.44601505 0.46338376
        Si -0.71819595 6.24079844 0.45601090
        Si 3.11557099 2.37113935 0.28854523
        Si 3.11369596 6.22575275 0.49858788
        Si -2.62849069 -5.26232478 1.61910594
        Si -2.64812100 -1.45106530 1.88466393
        Si 1.19338785 -5.27494418 1.60318525
        Si -2.63433177 2.39827015 1.61466981
        Si 1.21006662 -1.44750187 1.87775986
        Si -2.61562520 6.25114462 1.88710135
        Si 1.20282843 2.39801524 1.61218384
        Si 1.18001036 6.24825340 1.88540320
        Si -2.49025402 -7.06288399 3.16196084
        Si -2.72268976 -3.47211384 3.12809553
        Si 1.05389552 -7.06563616 3.15731488
        Si -2.76048246 0.56928071 3.13552799
        Si 1.27713695 -3.48128329 3.09554638
        Si -2.51222590 4.22602264 3.13751121
        Si 1.32703803 0.57144473 3.13209785
        Si 1.07816953 4.22408022 3.13627511
        Si -0.71587130 -6.55440062 4.68462397
        Si -0.71181354 -4.20740817 4.12304339
        Si 3.11111154 -6.21487200 3.87245730
        Si -0.71662395 1.44686914 3.87031884
        Si 3.09066785 -3.96191573 4.56341866
        Si -0.71697394 3.68718294 4.61843483
        Si 3.11416926 1.09320418 4.63538199
        Si 3.11428846 3.35514549 3.89423032
        H -2.63385928 6.87672561 -3.12039656
        H -2.63385821 -5.93286508 -3.12039612
        H -2.63385861 -4.61656990 -3.12039656
        H -2.63385820 -2.10176088 -3.12039612
        H 1.19724577 -5.93286531 -3.12039656
        H 1.19724521 6.87672538 -3.12039612
        H -2.63385860 -0.78546511 -3.12039656
        H -2.63385820 1.72934413 -3.12039612
        H 1.19724561 -2.10176133 -3.12039656
        H 1.19724572 -4.61657012 -3.12039612
        H -2.63385854 3.04563989 -3.12039656
        H -2.63385826 5.56044961 -3.12039612
        H 1.19724590 1.72934323 -3.12039656
        H 1.19724601 -0.78546557 -3.12039612
        H 1.19724573 5.56044869 -3.12039656
        H 1.19724584 3.04563898 -3.12039612
    End
    Lattice
        7.66220951 0.0 0.0
        0.0 15.32441902 0.0
    End
End

Engine BAND
    Title Si001_slab fragment
    Basis
        Type TZ2P
        Core Small
    End
    KSpace
        Quality GammaOnly
    End
    NumericalQuality Good
    Relativity
        Level Scalar
    End
    UseSymmetry No
    XC
        GGA PBE
        DISPERSION GRIMME3 BJDAMP
    End
EndEngine
eor