iterations/neb0_image02_iter17_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 0.161789067281E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296827691814E+03 -0.13211E+04 -0.12438E+04 420 0.168E+02
DAV: 3 -0.357978693583E+03 -0.65481E+03 -0.65109E+03 364 0.123E+02
DAV: 4 -0.433480712395E+03 -0.75502E+02 -0.75188E+02 316 0.520E+01
DAV: 5 -0.435193350347E+03 -0.17126E+01 -0.17099E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389127257035E+03 0.46066E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607615258E+03 0.35196E+01 -0.12420E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384162765080E+03 0.14449E+01 -0.21967E+00 332 0.376E+00 0.427E+00
DAV: 9 -0.383593377683E+03 0.56939E+00 -0.87218E-01 324 0.205E+00 0.993E-01
DAV: 10 -0.383537211773E+03 0.56166E-01 -0.99966E-02 332 0.854E-01 0.863E-01
DAV: 11 -0.383519162718E+03 0.18049E-01 -0.22018E-01 372 0.772E-01 0.929E-01
DAV: 12 -0.383497954581E+03 0.21208E-01 -0.17836E-01 316 0.476E-01 0.592E-01
DAV: 13 -0.383490633715E+03 0.73209E-02 -0.41020E-02 340 0.297E-01 0.316E-01
DAV: 14 -0.383482672444E+03 0.79613E-02 -0.21113E-02 300 0.364E-01 0.277E-01
DAV: 15 -0.383487082564E+03 -0.44101E-02 -0.94816E-03 316 0.263E-01 0.169E-01
DAV: 16 -0.383500129341E+03 -0.13047E-01 -0.46514E-03 292 0.206E-01 0.116E-01
DAV: 17 -0.383512293248E+03 -0.12164E-01 -0.25261E-03 308 0.133E-01 0.866E-02
DAV: 18 -0.383522963600E+03 -0.10670E-01 -0.11739E-03 324 0.821E-02 0.467E-02
DAV: 19 -0.383530467288E+03 -0.75037E-02 -0.63634E-04 324 0.509E-02 0.418E-02
DAV: 20 -0.383535191563E+03 -0.47243E-02 -0.30195E-04 308 0.343E-02 0.265E-02
DAV: 21 -0.383540216896E+03 -0.50253E-02 -0.31121E-04 308 0.329E-02 0.174E-02
DAV: 22 -0.383542543340E+03 -0.23264E-02 -0.14022E-04 308 0.238E-02 0.172E-02
DAV: 23 -0.383543645155E+03 -0.11018E-02 -0.61404E-05 284 0.160E-02 0.776E-03
DAV: 24 -0.383544015508E+03 -0.37035E-03 -0.13171E-05 228 0.833E-03 0.381E-03
DAV: 25 -0.383544316281E+03 -0.30077E-03 -0.14671E-05 228 0.718E-03 0.465E-03
DAV: 26 -0.383544434762E+03 -0.11848E-03 -0.29880E-06 236 0.387E-03 0.244E-03
DAV: 27 -0.383544538238E+03 -0.10348E-03 -0.47056E-06 188 0.449E-03 0.124E-03
DAV: 28 -0.383544566994E+03 -0.28756E-04 -0.14422E-06 228 0.245E-03 0.148E-03
DAV: 29 -0.383544577865E+03 -0.10871E-04 -0.51647E-07 220 0.167E-03 0.893E-04
DAV: 30 -0.383544594478E+03 -0.16612E-04 -0.82819E-07 204 0.228E-03 0.126E-03
DAV: 31 -0.383544597903E+03 -0.34254E-05 -0.21721E-07 228 0.135E-03
1 F= -.38354460E+03 E0= -.38355755E+03 d E =0.388631E-01