iterations/neb0_image05_iter9_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 0.161987765451E+04 0.16199E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.300235472725E+03 -0.13196E+04 -0.12416E+04 420 0.168E+02
DAV: 3 -0.358381249983E+03 -0.65862E+03 -0.65508E+03 364 0.123E+02
DAV: 4 -0.433377232530E+03 -0.74996E+02 -0.74719E+02 308 0.528E+01
DAV: 5 -0.435042351332E+03 -0.16651E+01 -0.16624E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389005754544E+03 0.46037E+02 -0.14970E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385513180120E+03 0.34926E+01 -0.12792E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384087347196E+03 0.14258E+01 -0.25952E+00 332 0.388E+00 0.430E+00
DAV: 9 -0.383514788729E+03 0.57256E+00 -0.61883E-01 332 0.194E+00 0.104E+00
DAV: 10 -0.383467232606E+03 0.47556E-01 -0.35866E-01 332 0.113E+00 0.115E+00
DAV: 11 -0.383445694587E+03 0.21538E-01 -0.21391E-01 316 0.549E-01 0.731E-01
DAV: 12 -0.383434843359E+03 0.10851E-01 -0.38612E-02 316 0.348E-01 0.551E-01
DAV: 13 -0.383422873494E+03 0.11970E-01 -0.13090E-01 316 0.496E-01 0.678E-01
DAV: 14 -0.383414191999E+03 0.86815E-02 -0.52477E-02 308 0.309E-01 0.295E-01
DAV: 15 -0.383416118718E+03 -0.19267E-02 -0.79255E-03 316 0.270E-01 0.191E-01
DAV: 16 -0.383425265188E+03 -0.91465E-02 -0.39091E-03 316 0.184E-01 0.145E-01
DAV: 17 -0.383440068017E+03 -0.14803E-01 -0.42884E-03 268 0.169E-01 0.106E-01
DAV: 18 -0.383448701264E+03 -0.86332E-02 -0.27792E-03 316 0.141E-01 0.714E-02
DAV: 19 -0.383454697582E+03 -0.59963E-02 -0.62038E-04 340 0.658E-02 0.693E-02
DAV: 20 -0.383461102547E+03 -0.64050E-02 -0.34627E-04 300 0.392E-02 0.392E-02
DAV: 21 -0.383467229559E+03 -0.61270E-02 -0.37033E-04 316 0.377E-02 0.252E-02
DAV: 22 -0.383469783891E+03 -0.25543E-02 -0.11332E-04 300 0.236E-02 0.164E-02
DAV: 23 -0.383471847669E+03 -0.20638E-02 -0.99708E-05 316 0.190E-02 0.150E-02
DAV: 24 -0.383473147345E+03 -0.12997E-02 -0.68551E-05 292 0.159E-02 0.822E-03
DAV: 25 -0.383473578004E+03 -0.43066E-03 -0.16164E-05 236 0.103E-02 0.537E-03
DAV: 26 -0.383473950095E+03 -0.37209E-03 -0.22720E-05 220 0.886E-03 0.501E-03
DAV: 27 -0.383474064161E+03 -0.11407E-03 -0.43108E-06 228 0.523E-03 0.396E-03
DAV: 28 -0.383474125394E+03 -0.61233E-04 -0.32827E-06 212 0.478E-03 0.250E-03
DAV: 29 -0.383474157024E+03 -0.31630E-04 -0.10372E-06 228 0.295E-03 0.128E-03
DAV: 30 -0.383474199272E+03 -0.42248E-04 -0.21797E-06 212 0.371E-03 0.194E-03
DAV: 31 -0.383474210714E+03 -0.11442E-04 -0.75570E-07 228 0.308E-03 0.144E-03
DAV: 32 -0.383474215314E+03 -0.45999E-05 -0.69923E-07 228 0.213E-03
1 F= -.38347422E+03 E0= -.38348731E+03 d E =0.392952E-01