iterations/neb0_image06_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 0.145143525997E+04 0.14514E+04 -0.44228E+04 330 0.697E+02
DAV: 2 0.227778743462E+03 -0.12237E+04 -0.11474E+04 426 0.163E+02
DAV: 3 -0.365442912891E+03 -0.59322E+03 -0.58992E+03 354 0.114E+02
DAV: 4 -0.433261644687E+03 -0.67819E+02 -0.67566E+02 318 0.490E+01
DAV: 5 -0.434745322734E+03 -0.14837E+01 -0.14812E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388872440568E+03 0.45873E+02 -0.14849E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385428514875E+03 0.34439E+01 -0.13251E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.383963529079E+03 0.14650E+01 -0.20800E+00 336 0.386E+00 0.430E+00
DAV: 9 -0.383408457979E+03 0.55507E+00 -0.81780E-01 336 0.215E+00 0.107E+00
DAV: 10 -0.383344412707E+03 0.64045E-01 -0.14773E-01 336 0.962E-01 0.975E-01
DAV: 11 -0.383334515585E+03 0.98971E-02 -0.23981E-01 345 0.668E-01 0.869E-01
DAV: 12 -0.383306027767E+03 0.28488E-01 -0.32131E-02 318 0.398E-01 0.657E-01
DAV: 13 -0.383293998386E+03 0.12029E-01 -0.12313E-01 327 0.544E-01 0.808E-01
DAV: 14 -0.383281616120E+03 0.12382E-01 -0.35293E-02 336 0.396E-01 0.361E-01
DAV: 15 -0.383283705175E+03 -0.20891E-02 -0.29266E-02 309 0.316E-01 0.293E-01
DAV: 16 -0.383284762364E+03 -0.10572E-02 -0.13221E-02 291 0.253E-01 0.170E-01
DAV: 17 -0.383292010519E+03 -0.72482E-02 -0.36836E-03 327 0.151E-01 0.996E-02
DAV: 18 -0.383304802057E+03 -0.12792E-01 -0.33870E-03 300 0.190E-01 0.940E-02
DAV: 19 -0.383315253654E+03 -0.10452E-01 -0.24680E-03 318 0.148E-01 0.779E-02
DAV: 20 -0.383319655440E+03 -0.44018E-02 -0.64420E-04 336 0.723E-02 0.749E-02
DAV: 21 -0.383323579237E+03 -0.39238E-02 -0.19044E-04 300 0.387E-02 0.330E-02
DAV: 22 -0.383329541717E+03 -0.59625E-02 -0.51513E-04 300 0.459E-02 0.428E-02
DAV: 23 -0.383331818171E+03 -0.22765E-02 -0.18387E-04 336 0.240E-02 0.230E-02
DAV: 24 -0.383333115464E+03 -0.12973E-02 -0.75150E-05 291 0.214E-02 0.175E-02
DAV: 25 -0.383333939365E+03 -0.82390E-03 -0.26487E-05 255 0.118E-02 0.704E-03
DAV: 26 -0.383334763714E+03 -0.82435E-03 -0.40341E-05 273 0.127E-02 0.671E-03
DAV: 27 -0.383334963684E+03 -0.19997E-03 -0.43621E-06 228 0.504E-03 0.369E-03
DAV: 28 -0.383335177051E+03 -0.21337E-03 -0.65442E-06 210 0.614E-03 0.507E-03
DAV: 29 -0.383335307273E+03 -0.13022E-03 -0.52294E-06 219 0.444E-03 0.247E-03
DAV: 30 -0.383335343374E+03 -0.36101E-04 -0.15145E-06 237 0.309E-03 0.311E-03
DAV: 31 -0.383335376840E+03 -0.33466E-04 -0.20873E-06 192 0.390E-03 0.178E-03
DAV: 32 -0.383335393435E+03 -0.16595E-04 -0.68015E-07 219 0.208E-03 0.149E-03
DAV: 33 -0.383335409062E+03 -0.15628E-04 -0.64953E-07 210 0.217E-03 0.116E-03
DAV: 34 -0.383335418198E+03 -0.91352E-05 -0.29763E-07 219 0.122E-03
1 F= -.38333542E+03 E0= -.38335221E+03 d E =0.503630E-01