./iterations/neb1_max2_image01_iter109_IBZKPT output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)

Status: finished

Automatically generated mesh
       4
Reciprocal lattice
    0.00000000000000    0.00000000000000    0.00000000000000             1
    0.00000000000000    0.50000000000000    0.00000000000000             1
    0.00000000000000    0.00000000000000    0.50000000000000             1
    0.00000000000000    0.50000000000000    0.50000000000000             1