87
87
real(dp) :: celli(3,3), sxx, syy, szz, sxy, sxz, syz
88
88
real(dp) :: stress_dif(3,3)
90
real(dp), dimension(:), allocatable :: gxa, gfa
90
real(dp), dimension(:), allocatable :: gxa, gfa, max_step
91
91
real(dp), dimension(:), allocatable :: rold, rnew, rdiff