#!/bin/sh

"$AMSBIN/ams" << eor

Task GeometryOptimization
GeometryOptimization
    OptimizeLattice Yes
End
System
    Atoms
        P      -0.828485912    -1.897764639     1.066807332
        P      -0.828485912     1.897764639    -1.066807332
        P       0.828485912     0.400761525    -1.066807332
        P       0.828485912    -0.400761525     1.066807332
        P       0.828485912    -1.897764639    -4.461185869
        P       0.828485912     1.897764639     4.461185869
        P      -0.828485912     0.400761525     4.461185869
        P      -0.828485912    -0.400761525    -4.461185869
    End
    Lattice
 VEC1     3.313943647     0.000000000     0.000000000
 VEC2     0.000000000     4.597052328     0.000000000
 VEC3     0.000000000     0.000000000    11.055986401
    End
End

Engine BAND
    Basis
        Type TZP
        Core None
    End
    BandStructure
        Enabled Yes
        DeltaK 0.01
    End
    EffectiveMass
        Enabled Yes
    End
    KSpace
        Type Symmetric
        Quality Good
    End
    NumericalQuality Good
    XC
        libxc pbe
    End
EndEngine
eor