iterations/neb0_image02_iter7_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 0.161788276613E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296859783175E+03 -0.13210E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.357966284151E+03 -0.65483E+03 -0.65110E+03 364 0.123E+02
DAV: 4 -0.433475131682E+03 -0.75509E+02 -0.75195E+02 316 0.520E+01
DAV: 5 -0.435187566722E+03 -0.17124E+01 -0.17097E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389122231503E+03 0.46065E+02 -0.15035E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385605932205E+03 0.35163E+01 -0.12451E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384165584165E+03 0.14403E+01 -0.23544E+00 332 0.378E+00 0.427E+00
DAV: 9 -0.383579950049E+03 0.58563E+00 -0.71787E-01 324 0.203E+00 0.108E+00
DAV: 10 -0.383529627521E+03 0.50323E-01 -0.16055E-01 332 0.864E-01 0.833E-01
DAV: 11 -0.383508558423E+03 0.21069E-01 -0.13898E-01 348 0.509E-01 0.619E-01
DAV: 12 -0.383480808925E+03 0.27749E-01 -0.34565E-02 308 0.489E-01 0.283E-01
DAV: 13 -0.383477436181E+03 0.33727E-02 -0.14233E-02 316 0.370E-01 0.196E-01
DAV: 14 -0.383486563257E+03 -0.91271E-02 -0.10071E-02 316 0.335E-01 0.251E-01
DAV: 15 -0.383491603487E+03 -0.50402E-02 -0.36677E-03 324 0.159E-01 0.156E-01
DAV: 16 -0.383501122247E+03 -0.95188E-02 -0.56740E-03 276 0.131E-01 0.109E-01
DAV: 17 -0.383512047959E+03 -0.10926E-01 -0.34505E-03 300 0.122E-01 0.163E-01
DAV: 18 -0.383518663041E+03 -0.66151E-02 -0.10440E-03 316 0.998E-02 0.919E-02
DAV: 19 -0.383524828436E+03 -0.61654E-02 -0.67382E-04 308 0.745E-02 0.415E-02
DAV: 20 -0.383533172743E+03 -0.83443E-02 -0.69807E-04 324 0.562E-02 0.430E-02
DAV: 21 -0.383535106250E+03 -0.19335E-02 -0.11087E-04 340 0.284E-02 0.314E-02
DAV: 22 -0.383537619249E+03 -0.25130E-02 -0.13146E-04 300 0.249E-02 0.103E-02
DAV: 23 -0.383539321836E+03 -0.17026E-02 -0.88364E-05 308 0.169E-02 0.956E-03
DAV: 24 -0.383539924123E+03 -0.60229E-03 -0.21761E-05 252 0.958E-03 0.845E-03
DAV: 25 -0.383540351006E+03 -0.42688E-03 -0.18605E-05 244 0.869E-03 0.276E-03
DAV: 26 -0.383540505013E+03 -0.15401E-03 -0.54939E-06 228 0.532E-03 0.328E-03
DAV: 27 -0.383540582349E+03 -0.77336E-04 -0.26459E-06 220 0.338E-03 0.213E-03
DAV: 28 -0.383540630380E+03 -0.48030E-04 -0.20386E-06 204 0.331E-03 0.167E-03
DAV: 29 -0.383540650423E+03 -0.20043E-04 -0.77141E-07 212 0.188E-03 0.851E-04
DAV: 30 -0.383540662929E+03 -0.12506E-04 -0.59691E-07 220 0.172E-03 0.553E-04
DAV: 31 -0.383540669133E+03 -0.62044E-05 -0.23057E-07 212 0.988E-04
1 F= -.38354067E+03 E0= -.38355351E+03 d E =0.385263E-01