iterations/neb0_image04_iter19_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 0.161895294531E+04 0.16190E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298049036325E+03 -0.13209E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354100826227E+03 -0.65215E+03 -0.64856E+03 356 0.123E+02
DAV: 4 -0.433261733562E+03 -0.79161E+02 -0.78820E+02 316 0.540E+01
DAV: 5 -0.435105967288E+03 -0.18442E+01 -0.18420E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389064259109E+03 0.46042E+02 -0.15050E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385567396301E+03 0.34969E+01 -0.12496E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384128957263E+03 0.14384E+01 -0.23643E+00 332 0.383E+00 0.429E+00
DAV: 9 -0.383560528516E+03 0.56843E+00 -0.60536E-01 324 0.193E+00 0.104E+00
DAV: 10 -0.383522387918E+03 0.38141E-01 -0.38077E-01 356 0.103E+00 0.111E+00
DAV: 11 -0.383494287431E+03 0.28100E-01 -0.22119E-01 324 0.541E-01 0.739E-01
DAV: 12 -0.383483054448E+03 0.11233E-01 -0.54771E-02 348 0.372E-01 0.519E-01
DAV: 13 -0.383466194432E+03 0.16860E-01 -0.73005E-02 316 0.456E-01 0.459E-01
DAV: 14 -0.383462051735E+03 0.41427E-02 -0.33591E-02 316 0.311E-01 0.208E-01
DAV: 15 -0.383466013054E+03 -0.39613E-02 -0.83123E-03 316 0.281E-01 0.189E-01
DAV: 16 -0.383476382650E+03 -0.10370E-01 -0.38699E-03 316 0.187E-01 0.101E-01
DAV: 17 -0.383490836110E+03 -0.14453E-01 -0.40312E-03 292 0.158E-01 0.870E-02
DAV: 18 -0.383499482879E+03 -0.86468E-02 -0.19585E-03 316 0.104E-01 0.563E-02
DAV: 19 -0.383506318096E+03 -0.68352E-02 -0.39438E-04 316 0.498E-02 0.391E-02
DAV: 20 -0.383514803906E+03 -0.84858E-02 -0.58798E-04 308 0.453E-02 0.217E-02
DAV: 21 -0.383517373660E+03 -0.25698E-02 -0.85101E-05 300 0.209E-02 0.160E-02
DAV: 22 -0.383520591681E+03 -0.32180E-02 -0.22013E-04 292 0.308E-02 0.979E-03
DAV: 23 -0.383521377755E+03 -0.78607E-03 -0.27585E-05 252 0.129E-02 0.840E-03
DAV: 24 -0.383522163753E+03 -0.78600E-03 -0.53522E-05 276 0.178E-02 0.684E-03
DAV: 25 -0.383522385341E+03 -0.22159E-03 -0.71668E-06 228 0.820E-03 0.397E-03
DAV: 26 -0.383522598523E+03 -0.21318E-03 -0.14313E-05 228 0.831E-03 0.363E-03
DAV: 27 -0.383522665071E+03 -0.66547E-04 -0.16181E-06 236 0.413E-03 0.228E-03
DAV: 28 -0.383522749606E+03 -0.84535E-04 -0.52351E-06 196 0.616E-03 0.249E-03
DAV: 29 -0.383522782708E+03 -0.33103E-04 -0.15230E-06 220 0.276E-03 0.249E-03
DAV: 30 -0.383522790846E+03 -0.81377E-05 -0.54113E-07 228 0.229E-03
1 F= -.38352279E+03 E0= -.38353590E+03 d E =0.393166E-01