iterations/neb0_image05_iter36_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 0.144200459952E+04 0.14420E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.236129888708E+03 -0.12059E+04 -0.11290E+04 408 0.162E+02
DAV: 3 -0.364735096949E+03 -0.60086E+03 -0.59677E+03 372 0.115E+02
DAV: 4 -0.430430802278E+03 -0.65696E+02 -0.65434E+02 309 0.470E+01
DAV: 5 -0.431877167045E+03 -0.14464E+01 -0.14429E+01 336 0.730E+00 0.424E+01
DAV: 6 -0.386564651857E+03 0.45313E+02 -0.14866E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.383177436077E+03 0.33872E+01 -0.12284E+01 336 0.776E+00 0.104E+01
DAV: 8 -0.381735085092E+03 0.14424E+01 -0.24747E+00 327 0.391E+00 0.430E+00
DAV: 9 -0.381165336005E+03 0.56975E+00 -0.64277E-01 318 0.199E+00 0.127E+00
DAV: 10 -0.381131438269E+03 0.33898E-01 -0.91340E-01 372 0.137E+00 0.111E+00
DAV: 11 -0.381093160835E+03 0.38277E-01 -0.12484E-01 327 0.629E-01 0.109E+00
DAV: 12 -0.381080664682E+03 0.12496E-01 -0.19324E-01 336 0.391E-01 0.103E+00
DAV: 13 -0.381072008326E+03 0.86564E-02 -0.63551E-02 399 0.712E-01 0.115E+00
DAV: 14 -0.381044294754E+03 0.27714E-01 -0.11905E-01 318 0.545E-01 0.805E-01
DAV: 15 -0.381038851217E+03 0.54435E-02 -0.33656E-02 327 0.268E-01 0.429E-01
DAV: 16 -0.381037848476E+03 0.10027E-02 -0.79182E-03 318 0.268E-01 0.442E-01
DAV: 17 -0.381043383489E+03 -0.55350E-02 -0.95753E-03 336 0.294E-01 0.196E-01
DAV: 18 -0.381056059957E+03 -0.12676E-01 -0.27181E-02 309 0.224E-01 0.436E-01
DAV: 19 -0.381062042027E+03 -0.59821E-02 -0.42476E-03 327 0.186E-01 0.243E-01
DAV: 20 -0.381065646021E+03 -0.36040E-02 -0.23345E-03 318 0.103E-01 0.131E-01
DAV: 21 -0.381070618849E+03 -0.49728E-02 -0.67938E-04 300 0.644E-02 0.821E-02
DAV: 22 -0.381077013864E+03 -0.63950E-02 -0.53702E-04 327 0.516E-02 0.781E-02
DAV: 23 -0.381082390221E+03 -0.53764E-02 -0.30908E-04 309 0.448E-02 0.393E-02
DAV: 24 -0.381085123862E+03 -0.27336E-02 -0.22612E-04 327 0.323E-02 0.278E-02
DAV: 25 -0.381087067923E+03 -0.19441E-02 -0.10129E-04 309 0.206E-02 0.151E-02
DAV: 26 -0.381088393617E+03 -0.13257E-02 -0.88540E-05 300 0.180E-02 0.263E-02
DAV: 27 -0.381089135304E+03 -0.74169E-03 -0.44820E-05 273 0.120E-02 0.110E-02
DAV: 28 -0.381089315283E+03 -0.17998E-03 -0.67086E-06 237 0.614E-03 0.664E-03
DAV: 29 -0.381089550197E+03 -0.23491E-03 -0.79733E-06 210 0.519E-03 0.436E-03
DAV: 30 -0.381089679785E+03 -0.12959E-03 -0.40819E-06 219 0.405E-03 0.337E-03
DAV: 31 -0.381089724033E+03 -0.44248E-04 -0.16332E-06 228 0.273E-03 0.213E-03
DAV: 32 -0.381089756324E+03 -0.32291E-04 -0.10775E-06 201 0.206E-03 0.106E-03
DAV: 33 -0.381089787154E+03 -0.30830E-04 -0.12450E-06 219 0.213E-03 0.146E-03
DAV: 34 -0.381089792076E+03 -0.49223E-05 -0.35286E-07 228 0.133E-03
1 F= -.38108979E+03 E0= -.38110712E+03 d E =0.519823E-01