iterations/neb0_image03_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 0.144880083468E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224752362718E+03 -0.12240E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362433010452E+03 -0.58719E+03 -0.58352E+03 345 0.114E+02
DAV: 4 -0.433379326107E+03 -0.70946E+02 -0.70714E+02 309 0.508E+01
DAV: 5 -0.434970296395E+03 -0.15910E+01 -0.15883E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389048440072E+03 0.45922E+02 -0.14792E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385602747226E+03 0.34457E+01 -0.13656E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384131429099E+03 0.14713E+01 -0.20581E+00 336 0.383E+00 0.432E+00
DAV: 9 -0.383587600652E+03 0.54383E+00 -0.15164E+00 327 0.240E+00 0.134E+00
DAV: 10 -0.383533071494E+03 0.54529E-01 -0.42695E-01 327 0.116E+00 0.980E-01
DAV: 11 -0.383492829272E+03 0.40242E-01 -0.99016E-02 345 0.644E-01 0.761E-01
DAV: 12 -0.383480669414E+03 0.12160E-01 -0.10097E-01 336 0.719E-01 0.978E-01
DAV: 13 -0.383461337909E+03 0.19332E-01 -0.16037E-01 354 0.531E-01 0.652E-01
DAV: 14 -0.383450698759E+03 0.10639E-01 -0.53830E-02 327 0.375E-01 0.311E-01
DAV: 15 -0.383447989409E+03 0.27094E-02 -0.14780E-02 309 0.381E-01 0.263E-01
DAV: 16 -0.383452809805E+03 -0.48204E-02 -0.84338E-03 336 0.269E-01 0.278E-01
DAV: 17 -0.383457717914E+03 -0.49081E-02 -0.35100E-03 291 0.181E-01 0.190E-01
DAV: 18 -0.383469484845E+03 -0.11767E-01 -0.92385E-03 345 0.263E-01 0.293E-01
DAV: 19 -0.383469821474E+03 -0.33663E-03 -0.19272E-03 318 0.118E-01 0.171E-01
DAV: 20 -0.383474713446E+03 -0.48920E-02 -0.98559E-04 282 0.755E-02 0.113E-01
DAV: 21 -0.383482483220E+03 -0.77698E-02 -0.10903E-03 309 0.924E-02 0.115E-01
DAV: 22 -0.383486693466E+03 -0.42102E-02 -0.51874E-04 318 0.614E-02 0.442E-02
DAV: 23 -0.383490813017E+03 -0.41196E-02 -0.28274E-04 318 0.461E-02 0.546E-02
DAV: 24 -0.383494539573E+03 -0.37266E-02 -0.29403E-04 300 0.344E-02 0.360E-02
DAV: 25 -0.383496327353E+03 -0.17878E-02 -0.13389E-04 336 0.257E-02 0.191E-02
DAV: 26 -0.383497306310E+03 -0.97896E-03 -0.48944E-05 291 0.147E-02 0.101E-02
DAV: 27 -0.383497886997E+03 -0.58069E-03 -0.20385E-05 255 0.952E-03 0.127E-02
DAV: 28 -0.383498551945E+03 -0.66495E-03 -0.37322E-05 282 0.120E-02 0.561E-03
DAV: 29 -0.383498677561E+03 -0.12562E-03 -0.43470E-06 237 0.559E-03 0.510E-03
DAV: 30 -0.383498736486E+03 -0.58924E-04 -0.24332E-06 237 0.399E-03 0.334E-03
DAV: 31 -0.383498805746E+03 -0.69260E-04 -0.20024E-06 210 0.329E-03 0.197E-03
DAV: 32 -0.383498868412E+03 -0.62666E-04 -0.23676E-06 219 0.297E-03 0.160E-03
DAV: 33 -0.383498886380E+03 -0.17969E-04 -0.83027E-07 228 0.171E-03 0.157E-03
DAV: 34 -0.383498899387E+03 -0.13007E-04 -0.71475E-07 210 0.192E-03 0.119E-03
DAV: 35 -0.383498905672E+03 -0.62851E-05 -0.31378E-07 219 0.123E-03
1 F= -.38349891E+03 E0= -.38351562E+03 d E =0.501508E-01