iterations/neb0_image03_iter29_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144863225921E+04 0.14486E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224623836554E+03 -0.12240E+04 -0.11482E+04 435 0.163E+02
DAV: 3 -0.362474676819E+03 -0.58710E+03 -0.58350E+03 345 0.114E+02
DAV: 4 -0.433375085035E+03 -0.70900E+02 -0.70671E+02 309 0.508E+01
DAV: 5 -0.434965491671E+03 -0.15904E+01 -0.15877E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389050499479E+03 0.45915E+02 -0.14790E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385607372343E+03 0.34431E+01 -0.13740E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384136420069E+03 0.14710E+01 -0.21028E+00 345 0.385E+00 0.434E+00
DAV: 9 -0.383591714758E+03 0.54471E+00 -0.14166E+00 336 0.237E+00 0.136E+00
DAV: 10 -0.383535498991E+03 0.56216E-01 -0.44746E-01 318 0.120E+00 0.113E+00
DAV: 11 -0.383497685189E+03 0.37814E-01 -0.22833E-01 345 0.711E-01 0.999E-01
DAV: 12 -0.383488837274E+03 0.88479E-02 -0.26785E-01 354 0.772E-01 0.119E+00
DAV: 13 -0.383464582714E+03 0.24255E-01 -0.56975E-02 381 0.581E-01 0.766E-01
DAV: 14 -0.383450756741E+03 0.13826E-01 -0.12792E-02 309 0.378E-01 0.326E-01
DAV: 15 -0.383448954131E+03 0.18026E-02 -0.23650E-02 327 0.427E-01 0.296E-01
DAV: 16 -0.383450469932E+03 -0.15158E-02 -0.54810E-03 327 0.253E-01 0.328E-01
DAV: 17 -0.383455829810E+03 -0.53599E-02 -0.29523E-03 300 0.166E-01 0.264E-01
DAV: 18 -0.383466667084E+03 -0.10837E-01 -0.48069E-03 327 0.217E-01 0.108E-01
DAV: 19 -0.383471929136E+03 -0.52621E-02 -0.21747E-03 318 0.125E-01 0.116E-01
DAV: 20 -0.383479718484E+03 -0.77893E-02 -0.89543E-04 300 0.781E-02 0.105E-01
DAV: 21 -0.383487448805E+03 -0.77303E-02 -0.54244E-04 336 0.691E-02 0.438E-02
DAV: 22 -0.383492615874E+03 -0.51671E-02 -0.39769E-04 300 0.533E-02 0.353E-02
DAV: 23 -0.383495791966E+03 -0.31761E-02 -0.15262E-04 327 0.333E-02 0.351E-02
DAV: 24 -0.383498387323E+03 -0.25954E-02 -0.15002E-04 309 0.290E-02 0.128E-02
DAV: 25 -0.383499615799E+03 -0.12285E-02 -0.57889E-05 291 0.162E-02 0.171E-02
DAV: 26 -0.383500360906E+03 -0.74511E-03 -0.31354E-05 273 0.116E-02 0.136E-02
DAV: 27 -0.383500691245E+03 -0.33034E-03 -0.13927E-05 255 0.818E-03 0.514E-03
DAV: 28 -0.383500899605E+03 -0.20836E-03 -0.73225E-06 219 0.581E-03 0.350E-03
DAV: 29 -0.383501019868E+03 -0.12026E-03 -0.40912E-06 228 0.511E-03 0.277E-03
DAV: 30 -0.383501102469E+03 -0.82600E-04 -0.25138E-06 219 0.335E-03 0.192E-03
DAV: 31 -0.383501139551E+03 -0.37083E-04 -0.16643E-06 219 0.281E-03 0.174E-03
DAV: 32 -0.383501166417E+03 -0.26865E-04 -0.10056E-06 201 0.226E-03 0.109E-03
DAV: 33 -0.383501177413E+03 -0.10996E-04 -0.65179E-07 219 0.172E-03 0.785E-04
DAV: 34 -0.383501184356E+03 -0.69429E-05 -0.31233E-07 219 0.119E-03
1 F= -.38350118E+03 E0= -.38351780E+03 d E =0.498569E-01