iterations/neb0_image06_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 0.162128347989E+04 0.16213E+04 -0.42286E+04 306 0.697E+02
DAV: 2 0.301460620926E+03 -0.13198E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.357933139496E+03 -0.65939E+03 -0.65496E+03 364 0.123E+02
DAV: 4 -0.433290597965E+03 -0.75357E+02 -0.75083E+02 308 0.528E+01
DAV: 5 -0.434981650074E+03 -0.16911E+01 -0.16886E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388919937600E+03 0.46062E+02 -0.15065E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385427478497E+03 0.34925E+01 -0.12659E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384004148845E+03 0.14233E+01 -0.27825E+00 332 0.392E+00 0.432E+00
DAV: 9 -0.383436496546E+03 0.56765E+00 -0.66682E-01 332 0.199E+00 0.110E+00
DAV: 10 -0.383389153759E+03 0.47343E-01 -0.39811E-01 332 0.102E+00 0.777E-01
DAV: 11 -0.383364781242E+03 0.24373E-01 -0.29518E-02 316 0.472E-01 0.614E-01
DAV: 12 -0.383343244820E+03 0.21536E-01 -0.83541E-02 348 0.674E-01 0.671E-01
DAV: 13 -0.383334808638E+03 0.84362E-02 -0.63697E-02 308 0.402E-01 0.362E-01
DAV: 14 -0.383335028691E+03 -0.22005E-03 -0.47132E-02 308 0.311E-01 0.443E-01
DAV: 15 -0.383337462497E+03 -0.24338E-02 -0.13733E-02 316 0.212E-01 0.326E-01
DAV: 16 -0.383343617161E+03 -0.61547E-02 -0.10478E-02 300 0.221E-01 0.230E-01
DAV: 17 -0.383353032167E+03 -0.94150E-02 -0.30226E-03 300 0.165E-01 0.138E-01
DAV: 18 -0.383361152171E+03 -0.81200E-02 -0.14911E-03 308 0.101E-01 0.867E-02
DAV: 19 -0.383373700872E+03 -0.12549E-01 -0.17382E-03 300 0.100E-01 0.541E-02
DAV: 20 -0.383378222156E+03 -0.45213E-02 -0.47413E-04 340 0.546E-02 0.382E-02
DAV: 21 -0.383382341770E+03 -0.41196E-02 -0.20658E-04 316 0.337E-02 0.402E-02
DAV: 22 -0.383387625327E+03 -0.52836E-02 -0.31101E-04 300 0.360E-02 0.175E-02
DAV: 23 -0.383388950853E+03 -0.13255E-02 -0.75517E-05 300 0.183E-02 0.110E-02
DAV: 24 -0.383390217175E+03 -0.12663E-02 -0.43906E-05 268 0.125E-02 0.126E-02
DAV: 25 -0.383391018032E+03 -0.80086E-03 -0.36924E-05 276 0.113E-02 0.421E-03
DAV: 26 -0.383391419373E+03 -0.40134E-03 -0.18200E-05 236 0.787E-03 0.554E-03
DAV: 27 -0.383391546305E+03 -0.12693E-03 -0.53435E-06 236 0.512E-03 0.286E-03
DAV: 28 -0.383391638298E+03 -0.91993E-04 -0.41619E-06 212 0.429E-03 0.426E-03
DAV: 29 -0.383391674728E+03 -0.36431E-04 -0.15228E-06 228 0.286E-03 0.161E-03
DAV: 30 -0.383391700752E+03 -0.26023E-04 -0.15754E-06 212 0.285E-03 0.191E-03
DAV: 31 -0.383391711156E+03 -0.10404E-04 -0.48633E-07 228 0.167E-03 0.102E-03
DAV: 32 -0.383391717946E+03 -0.67905E-05 -0.30981E-07 220 0.124E-03
1 F= -.38339172E+03 E0= -.38340508E+03 d E =0.400876E-01