iterations/neb0_image05_iter12_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 0.145051561534E+04 0.14505E+04 -0.44212E+04 330 0.697E+02
DAV: 2 0.232705329906E+03 -0.12178E+04 -0.11430E+04 417 0.163E+02
DAV: 3 -0.364822878045E+03 -0.59753E+03 -0.59424E+03 354 0.114E+02
DAV: 4 -0.433292602567E+03 -0.68470E+02 -0.68226E+02 318 0.495E+01
DAV: 5 -0.434790591221E+03 -0.14980E+01 -0.14955E+01 318 0.762E+00 0.426E+01
DAV: 6 -0.388934291984E+03 0.45856E+02 -0.14805E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385499818249E+03 0.34345E+01 -0.13390E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384039833561E+03 0.14600E+01 -0.22145E+00 336 0.387E+00 0.433E+00
DAV: 9 -0.383483048951E+03 0.55678E+00 -0.97657E-01 327 0.225E+00 0.128E+00
DAV: 10 -0.383432976193E+03 0.50073E-01 -0.52885E-01 327 0.122E+00 0.123E+00
DAV: 11 -0.383399625598E+03 0.33351E-01 -0.27084E-01 354 0.747E-01 0.815E-01
DAV: 12 -0.383381379440E+03 0.18246E-01 -0.31040E-02 336 0.501E-01 0.701E-01
DAV: 13 -0.383370078154E+03 0.11301E-01 -0.29439E-02 345 0.455E-01 0.742E-01
DAV: 14 -0.383357064959E+03 0.13013E-01 -0.16682E-01 345 0.533E-01 0.662E-01
DAV: 15 -0.383360144580E+03 -0.30796E-02 -0.12095E-01 327 0.419E-01 0.908E-01
DAV: 16 -0.383352776759E+03 0.73678E-02 -0.16469E-02 300 0.348E-01 0.356E-01
DAV: 17 -0.383355642547E+03 -0.28658E-02 -0.75779E-03 309 0.245E-01 0.199E-01
DAV: 18 -0.383364625749E+03 -0.89832E-02 -0.88449E-03 327 0.196E-01 0.229E-01
DAV: 19 -0.383374345601E+03 -0.97199E-02 -0.77674E-03 300 0.174E-01 0.213E-01
DAV: 20 -0.383382379185E+03 -0.80336E-02 -0.24845E-03 327 0.134E-01 0.120E-01
DAV: 21 -0.383387958819E+03 -0.55796E-02 -0.12401E-03 345 0.880E-02 0.992E-02
DAV: 22 -0.383393660516E+03 -0.57017E-02 -0.66255E-04 309 0.661E-02 0.788E-02
DAV: 23 -0.383397724686E+03 -0.40642E-02 -0.24009E-04 318 0.411E-02 0.597E-02
DAV: 24 -0.383399735335E+03 -0.20106E-02 -0.13501E-04 345 0.323E-02 0.179E-02
DAV: 25 -0.383402021890E+03 -0.22866E-02 -0.12649E-04 300 0.233E-02 0.293E-02
DAV: 26 -0.383403029266E+03 -0.10074E-02 -0.40286E-05 300 0.149E-02 0.380E-02
DAV: 27 -0.383403886382E+03 -0.85712E-03 -0.47081E-05 282 0.148E-02 0.188E-02
DAV: 28 -0.383404330440E+03 -0.44406E-03 -0.15762E-05 228 0.101E-02 0.148E-02
DAV: 29 -0.383404554882E+03 -0.22444E-03 -0.14473E-05 237 0.104E-02 0.450E-03
DAV: 30 -0.383404677768E+03 -0.12289E-03 -0.59583E-06 219 0.605E-03 0.374E-03
DAV: 31 -0.383404723524E+03 -0.45756E-04 -0.27928E-06 237 0.442E-03 0.341E-03
DAV: 32 -0.383404804230E+03 -0.80707E-04 -0.16844E-06 210 0.318E-03 0.475E-03
DAV: 33 -0.383404850240E+03 -0.46010E-04 -0.17198E-06 219 0.292E-03 0.274E-03
DAV: 34 -0.383404867623E+03 -0.17382E-04 -0.92544E-07 219 0.232E-03 0.137E-03
DAV: 35 -0.383404877401E+03 -0.97781E-05 -0.45438E-07 219 0.150E-03
1 F= -.38340488E+03 E0= -.38342154E+03 d E =0.499879E-01