iterations/neb0_image05_iter72_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 0.145121630817E+04 0.14512E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.235198001196E+03 -0.12160E+04 -0.11430E+04 417 0.163E+02
DAV: 3 -0.358219761434E+03 -0.59342E+03 -0.58983E+03 354 0.114E+02
DAV: 4 -0.431122005236E+03 -0.72902E+02 -0.72608E+02 318 0.513E+01
DAV: 5 -0.432766406671E+03 -0.16444E+01 -0.16415E+01 327 0.792E+00 0.426E+01
DAV: 6 -0.386760956010E+03 0.46005E+02 -0.14790E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.383363054888E+03 0.33979E+01 -0.12954E+01 345 0.790E+00 0.104E+01
DAV: 8 -0.381930128258E+03 0.14329E+01 -0.18561E+00 327 0.378E+00 0.419E+00
DAV: 9 -0.381359233986E+03 0.57089E+00 -0.58349E-01 336 0.193E+00 0.874E-01
DAV: 10 -0.381304621644E+03 0.54612E-01 -0.10395E-01 327 0.904E-01 0.623E-01
DAV: 11 -0.381274659349E+03 0.29962E-01 -0.16986E-02 327 0.416E-01 0.332E-01
DAV: 12 -0.381255477109E+03 0.19182E-01 -0.17348E-02 309 0.415E-01 0.200E-01
DAV: 13 -0.381255731435E+03 -0.25433E-03 -0.14823E-02 327 0.427E-01 0.144E-01
DAV: 14 -0.381268831133E+03 -0.13100E-01 -0.86215E-03 309 0.310E-01 0.127E-01
DAV: 15 -0.381278585913E+03 -0.97548E-02 -0.28343E-03 327 0.169E-01 0.558E-02
DAV: 16 -0.381287600806E+03 -0.90149E-02 -0.15611E-03 300 0.113E-01 0.548E-02
DAV: 17 -0.381294558170E+03 -0.69574E-02 -0.76261E-04 345 0.834E-02 0.379E-02
DAV: 18 -0.381301562184E+03 -0.70040E-02 -0.53866E-04 309 0.563E-02 0.377E-02
DAV: 19 -0.381306739186E+03 -0.51770E-02 -0.30788E-04 309 0.358E-02 0.241E-02
DAV: 20 -0.381308981588E+03 -0.22424E-02 -0.21444E-04 318 0.364E-02 0.112E-02
DAV: 21 -0.381309876682E+03 -0.89509E-03 -0.23653E-05 255 0.148E-02 0.708E-03
DAV: 22 -0.381310746808E+03 -0.87013E-03 -0.55984E-05 282 0.148E-02 0.578E-03
DAV: 23 -0.381310999318E+03 -0.25251E-03 -0.63246E-06 228 0.865E-03 0.290E-03
DAV: 24 -0.381311158816E+03 -0.15950E-03 -0.12485E-05 201 0.915E-03 0.497E-03
DAV: 25 -0.381311209007E+03 -0.50191E-04 -0.22301E-06 237 0.424E-03 0.426E-03
DAV: 26 -0.381311279312E+03 -0.70305E-04 -0.40392E-06 201 0.645E-03 0.123E-03
DAV: 27 -0.381311300903E+03 -0.21591E-04 -0.20883E-06 228 0.386E-03 0.152E-03
DAV: 28 -0.381311318877E+03 -0.17974E-04 -0.89973E-07 201 0.207E-03 0.178E-03
DAV: 29 -0.381311333022E+03 -0.14145E-04 -0.58129E-07 210 0.224E-03 0.889E-04
DAV: 30 -0.381311337417E+03 -0.43952E-05 -0.59362E-07 228 0.209E-03
1 F= -.38131134E+03 E0= -.38131521E+03 d E =0.116031E-01