# Example: Calculating the atomic forces¶

Download BNForce.run

#!/bin/sh

# This example shows how to calculate the gradient of the energy with respect to
# atomic displacements, using the GRADIENTS key block. For more details on
# consult the documentation for Gradients.

System
Atoms
B   0.0 0.0 0.0
N   0.86544 0.86544 0.86544
end
Lattice
0.0 1.8 1.8
1.8 0.0 1.8
1.8 1.8 0.0
End
End

Properties
End

Engine Band
Title BN zincblende structure (force calculation)

NumericalQuality Basic  ! for speed, not very accurate

Basis
Type TZ2P
Core Large
End
EndEngine

eor

# In the output you will find the result