iterations/neb0_image07_iter14_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 0.150837615056E+04 0.15084E+04 -0.43569E+04 322 0.697E+02
DAV: 2 0.249383743327E+03 -0.12590E+04 -0.11843E+04 428 0.164E+02
DAV: 3 -0.356211949271E+03 -0.60560E+03 -0.60167E+03 348 0.117E+02
DAV: 4 -0.433097257572E+03 -0.76885E+02 -0.76565E+02 316 0.531E+01
DAV: 5 -0.434900757724E+03 -0.18035E+01 -0.18005E+01 332 0.816E+00 0.427E+01
DAV: 6 -0.388804468668E+03 0.46096E+02 -0.14919E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385270560258E+03 0.35339E+01 -0.12744E+01 340 0.776E+00 0.104E+01
DAV: 8 -0.383848581329E+03 0.14220E+01 -0.24765E+00 332 0.389E+00 0.429E+00
DAV: 9 -0.383310745894E+03 0.53784E+00 -0.92856E-01 324 0.202E+00 0.110E+00
DAV: 10 -0.383241903157E+03 0.68843E-01 -0.18791E-01 340 0.974E-01 0.836E-01
DAV: 11 -0.383219881251E+03 0.22022E-01 -0.57746E-02 308 0.487E-01 0.646E-01
DAV: 12 -0.383205790727E+03 0.14091E-01 -0.21318E-01 308 0.536E-01 0.430E-01
DAV: 13 -0.383199841939E+03 0.59488E-02 -0.19630E-02 316 0.343E-01 0.391E-01
DAV: 14 -0.383200646737E+03 -0.80480E-03 -0.46620E-02 332 0.355E-01 0.418E-01
DAV: 15 -0.383202666701E+03 -0.20200E-02 -0.23065E-02 324 0.285E-01 0.244E-01
DAV: 16 -0.383206975670E+03 -0.43090E-02 -0.33663E-03 348 0.174E-01 0.199E-01
DAV: 17 -0.383213880817E+03 -0.69051E-02 -0.55790E-03 316 0.158E-01 0.188E-01
DAV: 18 -0.383221196096E+03 -0.73153E-02 -0.21979E-03 332 0.124E-01 0.815E-02
DAV: 19 -0.383231729263E+03 -0.10533E-01 -0.14329E-03 300 0.123E-01 0.212E-01
DAV: 20 -0.383234984134E+03 -0.32549E-02 -0.73809E-04 324 0.828E-02 0.637E-02
DAV: 21 -0.383240617474E+03 -0.56333E-02 -0.55341E-04 300 0.466E-02 0.292E-02
DAV: 22 -0.383245546718E+03 -0.49292E-02 -0.31610E-04 324 0.374E-02 0.234E-02
DAV: 23 -0.383248230360E+03 -0.26836E-02 -0.13945E-04 300 0.280E-02 0.111E-02
DAV: 24 -0.383250229652E+03 -0.19993E-02 -0.11746E-04 308 0.212E-02 0.270E-02
DAV: 25 -0.383251066988E+03 -0.83734E-03 -0.39349E-05 276 0.194E-02 0.112E-02
DAV: 26 -0.383251535018E+03 -0.46803E-03 -0.37875E-05 284 0.137E-02 0.114E-02
DAV: 27 -0.383251596891E+03 -0.61873E-04 -0.27132E-06 244 0.642E-03 0.500E-03
DAV: 28 -0.383251794391E+03 -0.19750E-03 -0.14215E-05 220 0.938E-03 0.383E-03
DAV: 29 -0.383251838599E+03 -0.44208E-04 -0.22982E-06 236 0.393E-03 0.269E-03
DAV: 30 -0.383251893604E+03 -0.55004E-04 -0.21742E-06 212 0.398E-03 0.201E-03
DAV: 31 -0.383251911852E+03 -0.18248E-04 -0.11469E-06 228 0.269E-03 0.124E-03
DAV: 32 -0.383251931480E+03 -0.19629E-04 -0.62486E-07 212 0.156E-03 0.121E-03
DAV: 33 -0.383251941977E+03 -0.10496E-04 -0.48629E-07 220 0.161E-03 0.495E-04
DAV: 34 -0.383251946176E+03 -0.41998E-05 -0.30458E-07 228 0.144E-03
1 F= -.38325195E+03 E0= -.38326490E+03 d E =0.388729E-01