iterations/neb0_image07_iter5_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 0.145177688433E+04 0.14518E+04 -0.44238E+04 330 0.697E+02
DAV: 2 0.229401134514E+03 -0.12224E+04 -0.11469E+04 426 0.163E+02
DAV: 3 -0.360662586445E+03 -0.59006E+03 -0.58670E+03 345 0.114E+02
DAV: 4 -0.432652869835E+03 -0.71990E+02 -0.71709E+02 318 0.512E+01
DAV: 5 -0.434280803728E+03 -0.16279E+01 -0.16252E+01 318 0.794E+00 0.426E+01
DAV: 6 -0.388562351039E+03 0.45718E+02 -0.14675E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385101146904E+03 0.34612E+01 -0.13250E+01 345 0.784E+00 0.104E+01
DAV: 8 -0.383673745909E+03 0.14274E+01 -0.23815E+00 345 0.393E+00 0.435E+00
DAV: 9 -0.383122662564E+03 0.55108E+00 -0.11747E+00 345 0.236E+00 0.121E+00
DAV: 10 -0.383053049644E+03 0.69613E-01 -0.20494E-01 327 0.113E+00 0.866E-01
DAV: 11 -0.383028471662E+03 0.24578E-01 -0.63102E-02 336 0.598E-01 0.876E-01
DAV: 12 -0.383004846134E+03 0.23626E-01 -0.95733E-02 336 0.508E-01 0.532E-01
DAV: 13 -0.382994985898E+03 0.98602E-02 -0.25529E-02 318 0.487E-01 0.882E-01
DAV: 14 -0.382986158581E+03 0.88273E-02 -0.98576E-02 327 0.381E-01 0.308E-01
DAV: 15 -0.382990000011E+03 -0.38414E-02 -0.31079E-02 300 0.398E-01 0.406E-01
DAV: 16 -0.382987044231E+03 0.29558E-02 -0.57357E-03 327 0.279E-01 0.150E-01
DAV: 17 -0.382996002532E+03 -0.89583E-02 -0.57954E-03 291 0.202E-01 0.216E-01
DAV: 18 -0.383005809420E+03 -0.98069E-02 -0.37225E-03 300 0.204E-01 0.988E-02
DAV: 19 -0.383015282778E+03 -0.94734E-02 -0.22201E-03 318 0.154E-01 0.578E-02
DAV: 20 -0.383022242832E+03 -0.69601E-02 -0.84455E-04 327 0.836E-02 0.467E-02
DAV: 21 -0.383025539740E+03 -0.32969E-02 -0.13952E-04 318 0.313E-02 0.368E-02
DAV: 22 -0.383031258623E+03 -0.57189E-02 -0.45091E-04 300 0.448E-02 0.193E-02
DAV: 23 -0.383033616783E+03 -0.23582E-02 -0.11841E-04 336 0.232E-02 0.240E-02
DAV: 24 -0.383034864189E+03 -0.12474E-02 -0.84183E-05 309 0.251E-02 0.121E-02
DAV: 25 -0.383035258271E+03 -0.39408E-03 -0.15006E-05 246 0.101E-02 0.698E-03
DAV: 26 -0.383036014677E+03 -0.75641E-03 -0.31590E-05 264 0.973E-03 0.769E-03
DAV: 27 -0.383036259291E+03 -0.24461E-03 -0.67034E-06 228 0.789E-03 0.335E-03
DAV: 28 -0.383036446954E+03 -0.18766E-03 -0.93307E-06 210 0.715E-03 0.435E-03
DAV: 29 -0.383036501021E+03 -0.54067E-04 -0.21566E-06 237 0.451E-03 0.189E-03
DAV: 30 -0.383036558231E+03 -0.57209E-04 -0.44025E-06 192 0.531E-03 0.410E-03
DAV: 31 -0.383036573594E+03 -0.15363E-04 -0.10372E-06 219 0.362E-03 0.203E-03
DAV: 32 -0.383036585414E+03 -0.11820E-04 -0.18224E-06 219 0.372E-03 0.159E-03
DAV: 33 -0.383036595759E+03 -0.10345E-04 -0.42791E-07 219 0.181E-03 0.760E-04
DAV: 34 -0.383036599795E+03 -0.40353E-05 -0.17592E-07 228 0.807E-04
1 F= -.38303660E+03 E0= -.38305347E+03 d E =0.506161E-01