iterations/neb0_image06_iter63_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 0.144956315182E+04 0.14496E+04 -0.44244E+04 330 0.697E+02
DAV: 2 0.231438419103E+03 -0.12181E+04 -0.11412E+04 417 0.163E+02
DAV: 3 -0.364059587389E+03 -0.59550E+03 -0.59197E+03 363 0.115E+02
DAV: 4 -0.433057199665E+03 -0.68998E+02 -0.68735E+02 309 0.492E+01
DAV: 5 -0.434587451175E+03 -0.15303E+01 -0.15276E+01 336 0.758E+00 0.428E+01
DAV: 6 -0.388369790442E+03 0.46218E+02 -0.15082E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384899981008E+03 0.34698E+01 -0.13237E+01 327 0.786E+00 0.104E+01
DAV: 8 -0.383457704167E+03 0.14423E+01 -0.22012E+00 327 0.388E+00 0.445E+00
DAV: 9 -0.382901866778E+03 0.55584E+00 -0.15540E+00 354 0.239E+00 0.129E+00
DAV: 10 -0.382833569610E+03 0.68297E-01 -0.17970E-01 327 0.108E+00 0.966E-01
DAV: 11 -0.382809867752E+03 0.23702E-01 -0.24802E-01 345 0.662E-01 0.975E-01
DAV: 12 -0.382781027165E+03 0.28841E-01 -0.82035E-02 327 0.589E-01 0.560E-01
DAV: 13 -0.382768511628E+03 0.12516E-01 -0.15469E-02 336 0.373E-01 0.372E-01
DAV: 14 -0.382761902351E+03 0.66093E-02 -0.11477E-02 309 0.345E-01 0.242E-01
DAV: 15 -0.382762947880E+03 -0.10455E-02 -0.97399E-03 309 0.309E-01 0.240E-01
DAV: 16 -0.382765821323E+03 -0.28734E-02 -0.41551E-03 336 0.201E-01 0.163E-01
DAV: 17 -0.382773697663E+03 -0.78763E-02 -0.23028E-03 291 0.141E-01 0.119E-01
DAV: 18 -0.382785898218E+03 -0.12201E-01 -0.26212E-03 318 0.154E-01 0.691E-02
DAV: 19 -0.382792210115E+03 -0.63119E-02 -0.12269E-03 336 0.110E-01 0.504E-02
DAV: 20 -0.382798278172E+03 -0.60681E-02 -0.46506E-04 363 0.644E-02 0.366E-02
DAV: 21 -0.382802648538E+03 -0.43704E-02 -0.14742E-04 327 0.306E-02 0.273E-02
DAV: 22 -0.382808090435E+03 -0.54419E-02 -0.31980E-04 282 0.352E-02 0.152E-02
DAV: 23 -0.382810013247E+03 -0.19228E-02 -0.81126E-05 318 0.207E-02 0.943E-03
DAV: 24 -0.382811236747E+03 -0.12235E-02 -0.63158E-05 318 0.180E-02 0.914E-03
DAV: 25 -0.382812036893E+03 -0.80015E-03 -0.25133E-05 255 0.113E-02 0.599E-03
DAV: 26 -0.382812440361E+03 -0.40347E-03 -0.23772E-05 264 0.109E-02 0.342E-03
DAV: 27 -0.382812547534E+03 -0.10717E-03 -0.28794E-06 237 0.541E-03 0.217E-03
DAV: 28 -0.382812667238E+03 -0.11970E-03 -0.46968E-06 201 0.512E-03 0.218E-03
DAV: 29 -0.382812703937E+03 -0.36699E-04 -0.12053E-06 228 0.336E-03 0.125E-03
DAV: 30 -0.382812745857E+03 -0.41919E-04 -0.26644E-06 192 0.416E-03 0.214E-03
DAV: 31 -0.382812757127E+03 -0.11271E-04 -0.84276E-07 228 0.352E-03 0.666E-04
DAV: 32 -0.382812766838E+03 -0.97109E-05 -0.10076E-06 192 0.227E-03
1 F= -.38281277E+03 E0= -.38282904E+03 d E =0.488302E-01