iterations/neb0_image06_iter24_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 0.162032058977E+04 0.16203E+04 -0.42282E+04 306 0.697E+02
DAV: 2 0.300860852709E+03 -0.13195E+04 -0.12411E+04 420 0.168E+02
DAV: 3 -0.358025773002E+03 -0.65889E+03 -0.65486E+03 364 0.123E+02
DAV: 4 -0.433218066051E+03 -0.75192E+02 -0.74918E+02 308 0.528E+01
DAV: 5 -0.434905459897E+03 -0.16874E+01 -0.16850E+01 348 0.810E+00 0.427E+01
DAV: 6 -0.388925276045E+03 0.45980E+02 -0.15052E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385441513669E+03 0.34838E+01 -0.12567E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.384023978489E+03 0.14175E+01 -0.27324E+00 332 0.392E+00 0.433E+00
DAV: 9 -0.383452526380E+03 0.57145E+00 -0.61562E-01 332 0.197E+00 0.990E-01
DAV: 10 -0.383397133835E+03 0.55393E-01 -0.13978E-01 324 0.956E-01 0.814E-01
DAV: 11 -0.383380731684E+03 0.16402E-01 -0.31534E-02 316 0.447E-01 0.663E-01
DAV: 12 -0.383366252878E+03 0.14479E-01 -0.62878E-02 332 0.403E-01 0.512E-01
DAV: 13 -0.383354566096E+03 0.11687E-01 -0.66887E-02 308 0.415E-01 0.446E-01
DAV: 14 -0.383353826101E+03 0.74000E-03 -0.33061E-02 340 0.244E-01 0.204E-01
DAV: 15 -0.383356808376E+03 -0.29823E-02 -0.77453E-03 292 0.237E-01 0.157E-01
DAV: 16 -0.383370699871E+03 -0.13891E-01 -0.71516E-03 308 0.228E-01 0.132E-01
DAV: 17 -0.383381551047E+03 -0.10851E-01 -0.40221E-03 292 0.197E-01 0.112E-01
DAV: 18 -0.383390821863E+03 -0.92708E-02 -0.22457E-03 324 0.123E-01 0.943E-02
DAV: 19 -0.383395005633E+03 -0.41838E-02 -0.42991E-04 340 0.531E-02 0.688E-02
DAV: 20 -0.383399057146E+03 -0.40515E-02 -0.43658E-04 324 0.459E-02 0.293E-02
DAV: 21 -0.383404957420E+03 -0.59003E-02 -0.30544E-04 300 0.364E-02 0.191E-02
DAV: 22 -0.383407900843E+03 -0.29434E-02 -0.12414E-04 300 0.228E-02 0.217E-02
DAV: 23 -0.383410642411E+03 -0.27416E-02 -0.19778E-04 300 0.272E-02 0.685E-03
DAV: 24 -0.383411345843E+03 -0.70343E-03 -0.28732E-05 260 0.122E-02 0.555E-03
DAV: 25 -0.383411747533E+03 -0.40169E-03 -0.15791E-05 228 0.937E-03 0.420E-03
DAV: 26 -0.383411971115E+03 -0.22358E-03 -0.85736E-06 220 0.579E-03 0.304E-03
DAV: 27 -0.383412109128E+03 -0.13801E-03 -0.71314E-06 228 0.673E-03 0.247E-03
DAV: 28 -0.383412179979E+03 -0.70851E-04 -0.31418E-06 212 0.439E-03 0.138E-03
DAV: 29 -0.383412201397E+03 -0.21418E-04 -0.17407E-06 228 0.309E-03 0.126E-03
DAV: 30 -0.383412230547E+03 -0.29150E-04 -0.97950E-07 212 0.206E-03 0.711E-04
DAV: 31 -0.383412247362E+03 -0.16814E-04 -0.87737E-07 220 0.186E-03 0.414E-04
DAV: 32 -0.383412253927E+03 -0.65650E-05 -0.29306E-07 228 0.115E-03
1 F= -.38341225E+03 E0= -.38342560E+03 d E =0.400298E-01