iterations/neb0_image03_iter56_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 0.144719350523E+04 0.14472E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.226997498655E+03 -0.12202E+04 -0.11439E+04 426 0.163E+02
DAV: 3 -0.362098018681E+03 -0.58910E+03 -0.58601E+03 345 0.114E+02
DAV: 4 -0.433187358691E+03 -0.71089E+02 -0.70825E+02 309 0.511E+01
DAV: 5 -0.434789869004E+03 -0.16025E+01 -0.15998E+01 327 0.786E+00 0.426E+01
DAV: 6 -0.388945366571E+03 0.45845E+02 -0.14772E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385453467308E+03 0.34919E+01 -0.12787E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384039653946E+03 0.14138E+01 -0.24569E+00 345 0.391E+00 0.443E+00
DAV: 9 -0.383455196378E+03 0.58446E+00 -0.89098E-01 336 0.212E+00 0.150E+00
DAV: 10 -0.383398875091E+03 0.56321E-01 -0.90749E-01 354 0.129E+00 0.114E+00
DAV: 11 -0.383371196938E+03 0.27678E-01 -0.31639E-01 318 0.701E-01 0.116E+00
DAV: 12 -0.383349696315E+03 0.21501E-01 -0.11204E-01 390 0.516E-01 0.840E-01
DAV: 13 -0.383336520402E+03 0.13176E-01 -0.33237E-02 318 0.514E-01 0.834E-01
DAV: 14 -0.383314919234E+03 0.21601E-01 -0.26416E-02 309 0.436E-01 0.649E-01
DAV: 15 -0.383310410034E+03 0.45092E-02 -0.39597E-02 318 0.437E-01 0.351E-01
DAV: 16 -0.383313124956E+03 -0.27149E-02 -0.79885E-03 309 0.217E-01 0.161E-01
DAV: 17 -0.383320989429E+03 -0.78645E-02 -0.29189E-03 300 0.167E-01 0.178E-01
DAV: 18 -0.383330853568E+03 -0.98641E-02 -0.54949E-03 318 0.189E-01 0.190E-01
DAV: 19 -0.383338265425E+03 -0.74119E-02 -0.30941E-03 318 0.161E-01 0.171E-01
DAV: 20 -0.383346398377E+03 -0.81330E-02 -0.99933E-04 327 0.110E-01 0.652E-02
DAV: 21 -0.383353128912E+03 -0.67305E-02 -0.67920E-04 327 0.621E-02 0.478E-02
DAV: 22 -0.383358095833E+03 -0.49669E-02 -0.27180E-04 309 0.382E-02 0.306E-02
DAV: 23 -0.383360179966E+03 -0.20841E-02 -0.54247E-05 309 0.175E-02 0.308E-02
DAV: 24 -0.383363343672E+03 -0.31637E-02 -0.19243E-04 282 0.276E-02 0.106E-02
DAV: 25 -0.383364499859E+03 -0.11562E-02 -0.54301E-05 309 0.148E-02 0.105E-02
DAV: 26 -0.383364869942E+03 -0.37008E-03 -0.91390E-06 237 0.863E-03 0.119E-02
DAV: 27 -0.383365410744E+03 -0.54080E-03 -0.27162E-05 237 0.101E-02 0.642E-03
DAV: 28 -0.383365550355E+03 -0.13961E-03 -0.39983E-06 228 0.485E-03 0.476E-03
DAV: 29 -0.383365639964E+03 -0.89609E-04 -0.37284E-06 228 0.503E-03 0.211E-03
DAV: 30 -0.383365684950E+03 -0.44986E-04 -0.12376E-06 219 0.265E-03 0.130E-03
DAV: 31 -0.383365742531E+03 -0.57581E-04 -0.15453E-06 219 0.277E-03 0.116E-03
DAV: 32 -0.383365769763E+03 -0.27232E-04 -0.10828E-06 219 0.224E-03 0.135E-03
DAV: 33 -0.383365772942E+03 -0.31792E-05 -0.42998E-07 237 0.162E-03
1 F= -.38336577E+03 E0= -.38338207E+03 d E =0.488945E-01