iterations/neb0_image09_iter17_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 0.145367393137E+04 0.14537E+04 -0.44276E+04 330 0.697E+02
DAV: 2 0.231461525935E+03 -0.12222E+04 -0.11469E+04 426 0.163E+02
DAV: 3 -0.359969115505E+03 -0.59143E+03 -0.58759E+03 354 0.114E+02
DAV: 4 -0.432419788823E+03 -0.72451E+02 -0.72159E+02 318 0.509E+01
DAV: 5 -0.434059083416E+03 -0.16393E+01 -0.16363E+01 318 0.789E+00 0.428E+01
DAV: 6 -0.388177842315E+03 0.45881E+02 -0.14802E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.384709323358E+03 0.34685E+01 -0.13043E+01 345 0.787E+00 0.104E+01
DAV: 8 -0.383244705381E+03 0.14646E+01 -0.18750E+00 345 0.388E+00 0.425E+00
DAV: 9 -0.382704865900E+03 0.53984E+00 -0.92262E-01 336 0.207E+00 0.107E+00
DAV: 10 -0.382635963570E+03 0.68902E-01 -0.20509E-01 336 0.100E+00 0.979E-01
DAV: 11 -0.382618552491E+03 0.17411E-01 -0.10715E-01 363 0.584E-01 0.732E-01
DAV: 12 -0.382593402864E+03 0.25150E-01 -0.50400E-02 327 0.412E-01 0.546E-01
DAV: 13 -0.382585947064E+03 0.74558E-02 -0.18844E-01 327 0.637E-01 0.933E-01
DAV: 14 -0.382567895801E+03 0.18051E-01 -0.20523E-02 309 0.424E-01 0.579E-01
DAV: 15 -0.382567041534E+03 0.85427E-03 -0.87761E-03 345 0.242E-01 0.376E-01
DAV: 16 -0.382572717872E+03 -0.56763E-02 -0.20787E-02 336 0.285E-01 0.288E-01
DAV: 17 -0.382582332556E+03 -0.96147E-02 -0.44710E-03 309 0.244E-01 0.214E-01
DAV: 18 -0.382588797647E+03 -0.64651E-02 -0.27503E-03 300 0.161E-01 0.168E-01
DAV: 19 -0.382596902651E+03 -0.81050E-02 -0.17687E-03 327 0.123E-01 0.971E-02
DAV: 20 -0.382604170101E+03 -0.72674E-02 -0.72466E-04 318 0.681E-02 0.770E-02
DAV: 21 -0.382607835008E+03 -0.36649E-02 -0.16133E-04 363 0.311E-02 0.420E-02
DAV: 22 -0.382612840621E+03 -0.50056E-02 -0.31918E-04 309 0.352E-02 0.496E-02
DAV: 23 -0.382617494416E+03 -0.46538E-02 -0.35086E-04 282 0.335E-02 0.206E-02
DAV: 24 -0.382618678542E+03 -0.11841E-02 -0.56062E-05 327 0.158E-02 0.194E-02
DAV: 25 -0.382619894198E+03 -0.12157E-02 -0.46482E-05 264 0.129E-02 0.866E-03
DAV: 26 -0.382620572241E+03 -0.67804E-03 -0.25632E-05 246 0.959E-03 0.509E-03
DAV: 27 -0.382620903727E+03 -0.33149E-03 -0.12904E-05 219 0.716E-03 0.616E-03
DAV: 28 -0.382621095622E+03 -0.19189E-03 -0.82948E-06 219 0.528E-03 0.431E-03
DAV: 29 -0.382621186105E+03 -0.90484E-04 -0.31739E-06 219 0.389E-03 0.295E-03
DAV: 30 -0.382621245204E+03 -0.59098E-04 -0.28391E-06 201 0.387E-03 0.365E-03
DAV: 31 -0.382621274741E+03 -0.29538E-04 -0.22024E-06 210 0.297E-03 0.177E-03
DAV: 32 -0.382621282938E+03 -0.81969E-05 -0.63024E-07 228 0.186E-03
1 F= -.38262128E+03 E0= -.38263834E+03 d E =0.511697E-01