iterations/neb0_image02_iter10_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 0.144814729218E+04 0.14481E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224494525117E+03 -0.12237E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362877564853E+03 -0.58737E+03 -0.58425E+03 345 0.114E+02
DAV: 4 -0.433470506510E+03 -0.70593E+02 -0.70357E+02 309 0.508E+01
DAV: 5 -0.435054562268E+03 -0.15841E+01 -0.15815E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389082937178E+03 0.45972E+02 -0.14802E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385607633087E+03 0.34753E+01 -0.13148E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384148687754E+03 0.14589E+01 -0.20183E+00 327 0.380E+00 0.434E+00
DAV: 9 -0.383605254931E+03 0.54343E+00 -0.13559E+00 354 0.238E+00 0.136E+00
DAV: 10 -0.383534800828E+03 0.70454E-01 -0.42927E-01 318 0.118E+00 0.111E+00
DAV: 11 -0.383507870758E+03 0.26930E-01 -0.17738E-01 354 0.611E-01 0.800E-01
DAV: 12 -0.383487810097E+03 0.20061E-01 -0.51854E-02 372 0.467E-01 0.625E-01
DAV: 13 -0.383465611005E+03 0.22199E-01 -0.36269E-02 318 0.479E-01 0.626E-01
DAV: 14 -0.383455109882E+03 0.10501E-01 -0.48865E-02 345 0.430E-01 0.406E-01
DAV: 15 -0.383457099173E+03 -0.19893E-02 -0.16913E-02 336 0.316E-01 0.398E-01
DAV: 16 -0.383459069503E+03 -0.19703E-02 -0.19065E-02 318 0.285E-01 0.284E-01
DAV: 17 -0.383464679116E+03 -0.56096E-02 -0.45324E-03 300 0.215E-01 0.195E-01
DAV: 18 -0.383472499090E+03 -0.78200E-02 -0.45729E-03 318 0.165E-01 0.145E-01
DAV: 19 -0.383481626425E+03 -0.91273E-02 -0.21118E-03 300 0.126E-01 0.867E-02
DAV: 20 -0.383491835454E+03 -0.10209E-01 -0.13946E-03 309 0.103E-01 0.540E-02
DAV: 21 -0.383497202888E+03 -0.53674E-02 -0.57273E-04 327 0.586E-02 0.399E-02
DAV: 22 -0.383501456648E+03 -0.42538E-02 -0.18258E-04 300 0.286E-02 0.444E-02
DAV: 23 -0.383504285170E+03 -0.28285E-02 -0.15105E-04 318 0.255E-02 0.138E-02
DAV: 24 -0.383506822083E+03 -0.25369E-02 -0.16285E-04 300 0.233E-02 0.982E-03
DAV: 25 -0.383507233597E+03 -0.41151E-03 -0.11506E-05 246 0.767E-03 0.135E-02
DAV: 26 -0.383507761447E+03 -0.52785E-03 -0.19991E-05 237 0.826E-03 0.721E-03
DAV: 27 -0.383508076507E+03 -0.31506E-03 -0.11324E-05 228 0.630E-03 0.402E-03
DAV: 28 -0.383508146191E+03 -0.69684E-04 -0.22918E-06 237 0.372E-03 0.323E-03
DAV: 29 -0.383508241090E+03 -0.94900E-04 -0.24115E-06 201 0.349E-03 0.218E-03
DAV: 30 -0.383508296253E+03 -0.55162E-04 -0.19826E-06 210 0.281E-03 0.169E-03
DAV: 31 -0.383508316111E+03 -0.19859E-04 -0.68884E-07 228 0.185E-03 0.134E-03
DAV: 32 -0.383508335621E+03 -0.19510E-04 -0.70670E-07 183 0.150E-03 0.689E-04
DAV: 33 -0.383508343768E+03 -0.81472E-05 -0.30357E-07 219 0.109E-03
1 F= -.38350834E+03 E0= -.38352483E+03 d E =0.494708E-01