./iterations/neb0_image07_iter19_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145189646293E+04 0.14519E+04 -0.44243E+04 330 0.697E+02
DAV: 2 0.228394258443E+03 -0.12235E+04 -0.11473E+04 426 0.163E+02
DAV: 3 -0.364854688745E+03 -0.59325E+03 -0.58976E+03 354 0.114E+02
DAV: 4 -0.433123662728E+03 -0.68269E+02 -0.68022E+02 309 0.492E+01
DAV: 5 -0.434621837646E+03 -0.14982E+01 -0.14954E+01 318 0.759E+00 0.427E+01
DAV: 6 -0.388768296209E+03 0.45854E+02 -0.14863E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385312081864E+03 0.34562E+01 -0.12935E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383843025449E+03 0.14691E+01 -0.18087E+00 345 0.379E+00 0.424E+00
DAV: 9 -0.383301814837E+03 0.54121E+00 -0.10284E+00 336 0.210E+00 0.994E-01
DAV: 10 -0.383242587322E+03 0.59228E-01 -0.11424E-01 336 0.911E-01 0.850E-01
DAV: 11 -0.383212418861E+03 0.30168E-01 -0.10550E-01 354 0.680E-01 0.634E-01
DAV: 12 -0.383188943743E+03 0.23475E-01 -0.24763E-02 327 0.419E-01 0.543E-01
DAV: 13 -0.383180833103E+03 0.81106E-02 -0.64814E-02 336 0.423E-01 0.447E-01
DAV: 14 -0.383172227151E+03 0.86060E-02 -0.37724E-02 309 0.429E-01 0.374E-01
DAV: 15 -0.383175972431E+03 -0.37453E-02 -0.18777E-02 309 0.289E-01 0.135E-01
DAV: 16 -0.383186113921E+03 -0.10141E-01 -0.56452E-03 300 0.251E-01 0.120E-01
DAV: 17 -0.383195338080E+03 -0.92242E-02 -0.28845E-03 327 0.170E-01 0.107E-01
DAV: 18 -0.383203356089E+03 -0.80180E-02 -0.84842E-04 336 0.893E-02 0.660E-02
DAV: 19 -0.383211191463E+03 -0.78354E-02 -0.58152E-04 318 0.542E-02 0.349E-02
DAV: 20 -0.383219196992E+03 -0.80055E-02 -0.48761E-04 318 0.436E-02 0.215E-02
DAV: 21 -0.383221556105E+03 -0.23591E-02 -0.10765E-04 327 0.224E-02 0.258E-02
DAV: 22 -0.383224664961E+03 -0.31089E-02 -0.23401E-04 291 0.280E-02 0.223E-02
DAV: 23 -0.383225429601E+03 -0.76464E-03 -0.31428E-05 273 0.123E-02 0.115E-02
DAV: 24 -0.383226154442E+03 -0.72484E-03 -0.36587E-05 255 0.138E-02 0.518E-03
DAV: 25 -0.383226410876E+03 -0.25643E-03 -0.50787E-06 228 0.631E-03 0.420E-03
DAV: 26 -0.383226609397E+03 -0.19852E-03 -0.93955E-06 219 0.697E-03 0.315E-03
DAV: 27 -0.383226762293E+03 -0.15290E-03 -0.37782E-06 219 0.485E-03 0.174E-03
DAV: 28 -0.383226811421E+03 -0.49128E-04 -0.25548E-06 219 0.361E-03 0.146E-03
DAV: 29 -0.383226843814E+03 -0.32393E-04 -0.10142E-06 201 0.237E-03 0.760E-04
DAV: 30 -0.383226861155E+03 -0.17341E-04 -0.81709E-07 210 0.190E-03 0.873E-04
DAV: 31 -0.383226868079E+03 -0.69244E-05 -0.29001E-07 228 0.118E-03
1 F= -.38322687E+03 E0= -.38324006E+03 d E =0.395759E-01