- metapot -- type(MetaPotential), intent(inout)
-
MetaPotential to use
- at -- type(Atoms), intent(in)
-
Atoms structure - should be equilibrium bulk configuation
- i -- integer, optional, intent(in)
-
The atom to displace (default 1)
- delta -- real(dp), optional, intent(in)
-
How much to displace it (default 1e-4_dp)
- Return value --
real(dp), dimension(3)
-