iterations/neb0_image01_iter12_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 0.161674920050E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296178219853E+03 -0.13206E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358064625110E+03 -0.65424E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433518725822E+03 -0.75454E+02 -0.75151E+02 308 0.519E+01
DAV: 5 -0.435229755217E+03 -0.17110E+01 -0.17082E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389146124874E+03 0.46084E+02 -0.15045E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385620597126E+03 0.35255E+01 -0.12458E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384172939748E+03 0.14477E+01 -0.26334E+00 332 0.386E+00 0.430E+00
DAV: 9 -0.383586863513E+03 0.58608E+00 -0.62499E-01 332 0.196E+00 0.997E-01
DAV: 10 -0.383532353801E+03 0.54510E-01 -0.25837E-01 332 0.104E+00 0.103E+00
DAV: 11 -0.383519236546E+03 0.13117E-01 -0.16335E-01 324 0.492E-01 0.736E-01
DAV: 12 -0.383503471754E+03 0.15765E-01 -0.26320E-02 308 0.346E-01 0.517E-01
DAV: 13 -0.383490879822E+03 0.12592E-01 -0.12605E-01 308 0.519E-01 0.746E-01
DAV: 14 -0.383483077714E+03 0.78021E-02 -0.55324E-02 324 0.288E-01 0.244E-01
DAV: 15 -0.383486320121E+03 -0.32424E-02 -0.62397E-03 300 0.246E-01 0.178E-01
DAV: 16 -0.383497219465E+03 -0.10899E-01 -0.89806E-03 316 0.255E-01 0.152E-01
DAV: 17 -0.383506223472E+03 -0.90040E-02 -0.30502E-03 308 0.159E-01 0.118E-01
DAV: 18 -0.383516032824E+03 -0.98094E-02 -0.20576E-03 300 0.111E-01 0.680E-02
DAV: 19 -0.383522843799E+03 -0.68110E-02 -0.77007E-04 332 0.661E-02 0.559E-02
DAV: 20 -0.383529778917E+03 -0.69351E-02 -0.35605E-04 308 0.437E-02 0.387E-02
DAV: 21 -0.383537873848E+03 -0.80949E-02 -0.64443E-04 308 0.452E-02 0.275E-02
DAV: 22 -0.383538787337E+03 -0.91349E-03 -0.99617E-05 292 0.190E-02 0.158E-02
DAV: 23 -0.383542480592E+03 -0.36933E-02 -0.23688E-04 292 0.259E-02 0.945E-03
DAV: 24 -0.383543553433E+03 -0.10728E-02 -0.49521E-05 292 0.124E-02 0.597E-03
DAV: 25 -0.383544170486E+03 -0.61705E-03 -0.22625E-05 244 0.888E-03 0.710E-03
DAV: 26 -0.383544481559E+03 -0.31107E-03 -0.11446E-05 228 0.604E-03 0.216E-03
DAV: 27 -0.383544590690E+03 -0.10913E-03 -0.41844E-06 228 0.370E-03 0.145E-03
DAV: 28 -0.383544683076E+03 -0.92386E-04 -0.29609E-06 212 0.304E-03 0.216E-03
DAV: 29 -0.383544728610E+03 -0.45534E-04 -0.19379E-06 228 0.237E-03 0.671E-04
DAV: 30 -0.383544751596E+03 -0.22986E-04 -0.10843E-06 212 0.177E-03 0.584E-04
DAV: 31 -0.383544759388E+03 -0.77920E-05 -0.40778E-07 228 0.113E-03
1 F= -.38354476E+03 E0= -.38356196E+03 d E =0.516017E-01