iterations/neb0_image07_iter13_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 0.145231474497E+04 0.14523E+04 -0.44243E+04 330 0.697E+02
DAV: 2 0.229122627287E+03 -0.12232E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.361057116822E+03 -0.59018E+03 -0.58678E+03 345 0.114E+02
DAV: 4 -0.432881705647E+03 -0.71825E+02 -0.71558E+02 318 0.512E+01
DAV: 5 -0.434503531704E+03 -0.16218E+01 -0.16191E+01 318 0.793E+00 0.427E+01
DAV: 6 -0.388686334447E+03 0.45817E+02 -0.14725E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385220093168E+03 0.34662E+01 -0.13220E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383790852149E+03 0.14292E+01 -0.26599E+00 336 0.394E+00 0.437E+00
DAV: 9 -0.383259134084E+03 0.53172E+00 -0.15733E+00 336 0.241E+00 0.130E+00
DAV: 10 -0.383167044215E+03 0.92090E-01 -0.16806E-01 327 0.116E+00 0.122E+00
DAV: 11 -0.383154977785E+03 0.12066E-01 -0.52161E-01 372 0.924E-01 0.897E-01
DAV: 12 -0.383122988049E+03 0.31990E-01 -0.43601E-02 327 0.482E-01 0.682E-01
DAV: 13 -0.383119746841E+03 0.32412E-02 -0.10860E-01 336 0.561E-01 0.962E-01
DAV: 14 -0.383094384560E+03 0.25362E-01 -0.46237E-02 327 0.513E-01 0.361E-01
DAV: 15 -0.383093121948E+03 0.12626E-02 -0.17566E-02 309 0.358E-01 0.211E-01
DAV: 16 -0.383097831661E+03 -0.47097E-02 -0.12181E-02 318 0.250E-01 0.252E-01
DAV: 17 -0.383101854120E+03 -0.40225E-02 -0.73401E-03 300 0.154E-01 0.167E-01
DAV: 18 -0.383111622771E+03 -0.97687E-02 -0.32790E-03 291 0.186E-01 0.110E-01
DAV: 19 -0.383121153628E+03 -0.95309E-02 -0.22250E-03 327 0.145E-01 0.833E-02
DAV: 20 -0.383126948231E+03 -0.57946E-02 -0.90927E-04 336 0.917E-02 0.743E-02
DAV: 21 -0.383132690911E+03 -0.57427E-02 -0.32632E-04 300 0.465E-02 0.410E-02
DAV: 22 -0.383139253715E+03 -0.65628E-02 -0.41320E-04 309 0.462E-02 0.399E-02
DAV: 23 -0.383141300171E+03 -0.20465E-02 -0.95707E-05 336 0.235E-02 0.270E-02
DAV: 24 -0.383143498713E+03 -0.21985E-02 -0.98368E-05 273 0.198E-02 0.200E-02
DAV: 25 -0.383145262637E+03 -0.17639E-02 -0.12692E-04 318 0.188E-02 0.132E-02
DAV: 26 -0.383145768850E+03 -0.50621E-03 -0.17121E-05 246 0.972E-03 0.843E-03
DAV: 27 -0.383146132710E+03 -0.36386E-03 -0.15907E-05 219 0.712E-03 0.385E-03
DAV: 28 -0.383146298528E+03 -0.16582E-03 -0.57864E-06 237 0.475E-03 0.285E-03
DAV: 29 -0.383146428163E+03 -0.12963E-03 -0.34019E-06 201 0.375E-03 0.232E-03
DAV: 30 -0.383146477048E+03 -0.48885E-04 -0.17911E-06 219 0.281E-03 0.281E-03
DAV: 31 -0.383146520752E+03 -0.43704E-04 -0.15909E-06 201 0.253E-03 0.213E-03
DAV: 32 -0.383146537905E+03 -0.17154E-04 -0.81819E-07 219 0.178E-03 0.123E-03
DAV: 33 -0.383146546299E+03 -0.83933E-05 -0.40988E-07 219 0.132E-03
1 F= -.38314655E+03 E0= -.38316340E+03 d E =0.505561E-01