iterations/neb0_image04_iter31_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144931079151E+04 0.14493E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225006412475E+03 -0.12243E+04 -0.11493E+04 435 0.163E+02
DAV: 3 -0.362492375529E+03 -0.58750E+03 -0.58423E+03 345 0.114E+02
DAV: 4 -0.433311696604E+03 -0.70819E+02 -0.70569E+02 309 0.509E+01
DAV: 5 -0.434906265770E+03 -0.15946E+01 -0.15920E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389033853098E+03 0.45872E+02 -0.14767E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385581359951E+03 0.34525E+01 -0.13474E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384117580150E+03 0.14638E+01 -0.22533E+00 327 0.386E+00 0.435E+00
DAV: 9 -0.383577303408E+03 0.54028E+00 -0.16016E+00 336 0.240E+00 0.130E+00
DAV: 10 -0.383499090626E+03 0.78213E-01 -0.19418E-01 327 0.113E+00 0.927E-01
DAV: 11 -0.383474362472E+03 0.24728E-01 -0.15740E-01 336 0.664E-01 0.900E-01
DAV: 12 -0.383465807645E+03 0.85548E-02 -0.34440E-01 354 0.676E-01 0.939E-01
DAV: 13 -0.383447015449E+03 0.18792E-01 -0.15826E-01 354 0.526E-01 0.740E-01
DAV: 14 -0.383435227335E+03 0.11788E-01 -0.81728E-02 327 0.382E-01 0.598E-01
DAV: 15 -0.383428756558E+03 0.64708E-02 -0.25049E-02 318 0.464E-01 0.425E-01
DAV: 16 -0.383430360263E+03 -0.16037E-02 -0.22290E-02 318 0.284E-01 0.173E-01
DAV: 17 -0.383436145872E+03 -0.57856E-02 -0.37957E-03 309 0.183E-01 0.160E-01
DAV: 18 -0.383444494192E+03 -0.83483E-02 -0.49706E-03 363 0.197E-01 0.156E-01
DAV: 19 -0.383447908476E+03 -0.34143E-02 -0.15356E-03 318 0.998E-02 0.103E-01
DAV: 20 -0.383456063650E+03 -0.81552E-02 -0.14730E-03 291 0.114E-01 0.136E-01
DAV: 21 -0.383461005796E+03 -0.49421E-02 -0.92275E-04 336 0.870E-02 0.565E-02
DAV: 22 -0.383467634725E+03 -0.66289E-02 -0.81792E-04 318 0.733E-02 0.820E-02
DAV: 23 -0.383471951654E+03 -0.43169E-02 -0.37559E-04 336 0.495E-02 0.481E-02
DAV: 24 -0.383474872014E+03 -0.29204E-02 -0.19113E-04 300 0.350E-02 0.357E-02
DAV: 25 -0.383475360483E+03 -0.48847E-03 -0.68683E-05 327 0.181E-02 0.229E-02
DAV: 26 -0.383476442484E+03 -0.10820E-02 -0.33995E-05 264 0.132E-02 0.132E-02
DAV: 27 -0.383477941318E+03 -0.14988E-02 -0.79512E-05 291 0.166E-02 0.101E-02
DAV: 28 -0.383478477593E+03 -0.53628E-03 -0.25185E-05 282 0.983E-03 0.101E-02
DAV: 29 -0.383478672111E+03 -0.19452E-03 -0.56818E-06 228 0.536E-03 0.820E-03
DAV: 30 -0.383478856787E+03 -0.18468E-03 -0.68621E-06 219 0.599E-03 0.289E-03
DAV: 31 -0.383478928011E+03 -0.71224E-04 -0.35215E-06 237 0.427E-03 0.410E-03
DAV: 32 -0.383478959659E+03 -0.31649E-04 -0.11744E-06 219 0.292E-03 0.222E-03
DAV: 33 -0.383479012304E+03 -0.52644E-04 -0.21163E-06 210 0.307E-03 0.204E-03
DAV: 34 -0.383479026652E+03 -0.14349E-04 -0.62255E-07 228 0.191E-03 0.100E-03
DAV: 35 -0.383479038335E+03 -0.11683E-04 -0.50873E-07 201 0.166E-03 0.903E-04
DAV: 36 -0.383479043991E+03 -0.56558E-05 -0.25899E-07 228 0.114E-03
1 F= -.38347904E+03 E0= -.38349582E+03 d E =0.503248E-01