iterations/neb0_image04_iter11_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161906873893E+04 0.16191E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298058517821E+03 -0.13210E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354131055451E+03 -0.65219E+03 -0.64862E+03 356 0.123E+02
DAV: 4 -0.433270780251E+03 -0.79140E+02 -0.78799E+02 316 0.540E+01
DAV: 5 -0.435115640091E+03 -0.18449E+01 -0.18426E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389062245435E+03 0.46053E+02 -0.15049E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385570552253E+03 0.34917E+01 -0.12626E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384139535457E+03 0.14310E+01 -0.26260E+00 332 0.390E+00 0.430E+00
DAV: 9 -0.383566077295E+03 0.57346E+00 -0.61760E-01 324 0.194E+00 0.103E+00
DAV: 10 -0.383508916834E+03 0.57160E-01 -0.26409E-01 348 0.110E+00 0.102E+00
DAV: 11 -0.383495122975E+03 0.13794E-01 -0.17889E-01 316 0.523E-01 0.701E-01
DAV: 12 -0.383478867199E+03 0.16256E-01 -0.17844E-02 324 0.336E-01 0.461E-01
DAV: 13 -0.383464439001E+03 0.14428E-01 -0.74288E-02 308 0.496E-01 0.509E-01
DAV: 14 -0.383462556248E+03 0.18828E-02 -0.33548E-02 324 0.258E-01 0.277E-01
DAV: 15 -0.383466582885E+03 -0.40266E-02 -0.71204E-03 300 0.241E-01 0.204E-01
DAV: 16 -0.383475045528E+03 -0.84626E-02 -0.36503E-03 324 0.178E-01 0.113E-01
DAV: 17 -0.383489650919E+03 -0.14605E-01 -0.44622E-03 276 0.172E-01 0.137E-01
DAV: 18 -0.383498533738E+03 -0.88828E-02 -0.25537E-03 316 0.130E-01 0.640E-02
DAV: 19 -0.383505209472E+03 -0.66757E-02 -0.55557E-04 324 0.600E-02 0.567E-02
DAV: 20 -0.383511021479E+03 -0.58120E-02 -0.31430E-04 316 0.392E-02 0.327E-02
DAV: 21 -0.383515763411E+03 -0.47419E-02 -0.20338E-04 308 0.276E-02 0.190E-02
DAV: 22 -0.383519221732E+03 -0.34583E-02 -0.18608E-04 308 0.284E-02 0.117E-02
DAV: 23 -0.383521232520E+03 -0.20108E-02 -0.12703E-04 308 0.233E-02 0.964E-03
DAV: 24 -0.383521718224E+03 -0.48570E-03 -0.23141E-05 276 0.114E-02 0.614E-03
DAV: 25 -0.383521917964E+03 -0.19974E-03 -0.41962E-06 220 0.536E-03 0.419E-03
DAV: 26 -0.383522288731E+03 -0.37077E-03 -0.20211E-05 228 0.102E-02 0.385E-03
DAV: 27 -0.383522358517E+03 -0.69786E-04 -0.58530E-06 244 0.627E-03 0.228E-03
DAV: 28 -0.383522413866E+03 -0.55349E-04 -0.29094E-06 196 0.548E-03 0.238E-03
DAV: 29 -0.383522452590E+03 -0.38725E-04 -0.30208E-06 220 0.522E-03 0.179E-03
DAV: 30 -0.383522475852E+03 -0.23262E-04 -0.25181E-06 212 0.553E-03 0.106E-03
DAV: 31 -0.383522484600E+03 -0.87478E-05 -0.24077E-06 228 0.476E-03
1 F= -.38352248E+03 E0= -.38353615E+03 d E =0.409838E-01