iterations/neb0_image02_iter14_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 0.144806739262E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224466761595E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362856616289E+03 -0.58732E+03 -0.58419E+03 345 0.114E+02
DAV: 4 -0.433461232589E+03 -0.70605E+02 -0.70367E+02 309 0.508E+01
DAV: 5 -0.435045301001E+03 -0.15841E+01 -0.15815E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389085781557E+03 0.45960E+02 -0.14801E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385617679691E+03 0.34681E+01 -0.13369E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384139387503E+03 0.14783E+01 -0.20190E+00 336 0.380E+00 0.429E+00
DAV: 9 -0.383590093124E+03 0.54929E+00 -0.10612E+00 345 0.226E+00 0.117E+00
DAV: 10 -0.383526617179E+03 0.63476E-01 -0.18471E-01 327 0.989E-01 0.111E+00
DAV: 11 -0.383507549290E+03 0.19068E-01 -0.28617E-01 327 0.630E-01 0.932E-01
DAV: 12 -0.383488957065E+03 0.18592E-01 -0.17955E-01 345 0.562E-01 0.107E+00
DAV: 13 -0.383472642629E+03 0.16314E-01 -0.42893E-02 372 0.477E-01 0.656E-01
DAV: 14 -0.383456637446E+03 0.16005E-01 -0.23671E-02 318 0.455E-01 0.301E-01
DAV: 15 -0.383454835167E+03 0.18023E-02 -0.11968E-02 318 0.336E-01 0.186E-01
DAV: 16 -0.383459937473E+03 -0.51023E-02 -0.71580E-03 309 0.209E-01 0.157E-01
DAV: 17 -0.383466702893E+03 -0.67654E-02 -0.26853E-03 291 0.141E-01 0.139E-01
DAV: 18 -0.383479957494E+03 -0.13255E-01 -0.37498E-03 309 0.180E-01 0.688E-02
DAV: 19 -0.383488548900E+03 -0.85914E-02 -0.17497E-03 309 0.125E-01 0.500E-02
DAV: 20 -0.383494890928E+03 -0.63420E-02 -0.58508E-04 336 0.680E-02 0.542E-02
DAV: 21 -0.383499657646E+03 -0.47667E-02 -0.19586E-04 300 0.379E-02 0.318E-02
DAV: 22 -0.383505082066E+03 -0.54244E-02 -0.35050E-04 309 0.359E-02 0.140E-02
DAV: 23 -0.383507008530E+03 -0.19265E-02 -0.59148E-05 309 0.172E-02 0.112E-02
DAV: 24 -0.383509009298E+03 -0.20008E-02 -0.10004E-04 282 0.187E-02 0.786E-03
DAV: 25 -0.383509798689E+03 -0.78939E-03 -0.32090E-05 264 0.106E-02 0.762E-03
DAV: 26 -0.383510176534E+03 -0.37785E-03 -0.17708E-05 237 0.113E-02 0.461E-03
DAV: 27 -0.383510290613E+03 -0.11408E-03 -0.48659E-06 237 0.586E-03 0.404E-03
DAV: 28 -0.383510365515E+03 -0.74902E-04 -0.21039E-06 201 0.390E-03 0.401E-03
DAV: 29 -0.383510473758E+03 -0.10824E-03 -0.60255E-06 210 0.664E-03 0.263E-03
DAV: 30 -0.383510494771E+03 -0.21013E-04 -0.12467E-06 228 0.332E-03 0.168E-03
DAV: 31 -0.383510513558E+03 -0.18787E-04 -0.12207E-06 192 0.304E-03 0.132E-03
DAV: 32 -0.383510530536E+03 -0.16979E-04 -0.46152E-07 219 0.163E-03 0.737E-04
DAV: 33 -0.383510539395E+03 -0.88586E-05 -0.34959E-07 210 0.112E-03
1 F= -.38351054E+03 E0= -.38352714E+03 d E =0.498014E-01