iterations/neb0_image06_iter40_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 0.145739906022E+04 0.14574E+04 -0.42022E+04 312 0.696E+02
DAV: 2 0.277292308467E+03 -0.11801E+04 -0.11150E+04 417 0.160E+02
DAV: 3 -0.283522281474E+03 -0.56081E+03 -0.54983E+03 354 0.114E+02
DAV: 4 -0.361624398275E+03 -0.78102E+02 -0.75432E+02 309 0.486E+01
DAV: 5 -0.363944668520E+03 -0.23203E+01 -0.23077E+01 318 0.864E+00 0.452E+01
DAV: 6 -0.362562118931E+03 0.13825E+01 -0.43218E+02 300 0.330E+01 0.457E+01
DAV: 7 -0.326940208344E+03 0.35622E+02 -0.19672E+02 330 0.134E+01 0.281E+01
DAV: 8 -0.325945053782E+03 0.99515E+00 -0.17278E+02 300 0.796E+00 0.254E+01
DAV: 9 -0.311622058921E+03 0.14323E+02 -0.20009E+01 300 0.643E+00 0.178E+01
DAV: 10 -0.314213447959E+03 -0.25914E+01 -0.49168E+01 354 0.456E+00 0.206E+01
DAV: 11 -0.314618857120E+03 -0.40541E+00 -0.37682E+01 345 0.481E+00 0.189E+01
DAV: 12 -0.311745109239E+03 0.28737E+01 -0.10269E+01 300 0.265E+00 0.163E+01
DAV: 13 -0.311367926899E+03 0.37718E+00 -0.58442E+00 318 0.229E+00 0.153E+01
DAV: 14 -0.310201296477E+03 0.11666E+01 -0.40933E+00 309 0.122E+00 0.962E+00
DAV: 15 -0.310339774805E+03 -0.13848E+00 -0.38322E+00 300 0.642E-01 0.143E+01
DAV: 16 -0.310737306107E+03 -0.39753E+00 -0.16765E+01 372 0.119E+00 0.159E+01
DAV: 17 -0.310919602145E+03 -0.18230E+00 -0.46499E+00 354 0.109E+00 0.148E+01
DAV: 18 -0.310453093367E+03 0.46651E+00 -0.53216E+00 372 0.972E-01 0.132E+01
DAV: 19 -0.309824165015E+03 0.62893E+00 -0.45930E-01 345 0.990E-01 0.126E+01
DAV: 20 -0.309832836935E+03 -0.86719E-02 -0.12062E+00 318 0.666E-01 0.128E+01
DAV: 21 -0.309608534035E+03 0.22430E+00 -0.18123E+00 363 0.688E-01 0.791E+00
DAV: 22 -0.309555023666E+03 0.53510E-01 -0.17069E-01 327 0.566E-01 0.673E+00
DAV: 23 -0.309628383990E+03 -0.73360E-01 -0.61330E-01 318 0.515E-01 0.932E+00
DAV: 24 -0.309471710295E+03 0.15667E+00 -0.84468E-02 318 0.443E-01 0.295E+00
DAV: 25 -0.309523406062E+03 -0.51696E-01 -0.97385E-03 300 0.211E-01 0.488E+00
DAV: 26 -0.309515759627E+03 0.76464E-02 -0.57500E-03 291 0.120E-01 0.518E+00
DAV: 27 -0.309547034286E+03 -0.31275E-01 -0.66899E-01 309 0.312E-01 0.581E+00
DAV: 28 -0.309547796694E+03 -0.76241E-03 -0.32616E-02 318 0.284E-01 0.496E+00
DAV: 29 -0.309523050219E+03 0.24746E-01 -0.30043E-02 309 0.213E-01 0.486E+00
DAV: 30 -0.309495030189E+03 0.28020E-01 -0.21820E-01 390 0.245E-01 0.128E+00
DAV: 31 -0.309524489625E+03 -0.29459E-01 -0.80433E-03 282 0.150E-01 0.212E+00
DAV: 32 -0.309525856058E+03 -0.13664E-02 -0.20861E-02 309 0.134E-01 0.143E+00
DAV: 33 -0.309540297334E+03 -0.14441E-01 -0.35642E-02 300 0.146E-01 0.281E+00
DAV: 34 -0.309532973047E+03 0.73243E-02 -0.69882E-02 300 0.112E-01 0.115E+00
DAV: 35 -0.309542260015E+03 -0.92870E-02 -0.69292E-03 300 0.110E-01 0.859E-01
DAV: 36 -0.309548238832E+03 -0.59788E-02 -0.92130E-03 309 0.753E-02 0.105E+00
DAV: 37 -0.309550401928E+03 -0.21631E-02 -0.84126E-04 300 0.567E-02 0.266E-01
DAV: 38 -0.309554062490E+03 -0.36606E-02 -0.50954E-04 300 0.378E-02 0.511E-01
DAV: 39 -0.309555182486E+03 -0.11200E-02 -0.34910E-04 300 0.310E-02 0.367E-01
DAV: 40 -0.309556699671E+03 -0.15172E-02 -0.62888E-04 291 0.204E-02 0.230E-01
DAV: 41 -0.309558206672E+03 -0.15070E-02 -0.13174E-04 291 0.196E-02 0.121E-01
DAV: 42 -0.309558987152E+03 -0.78048E-03 -0.98210E-05 246 0.123E-02 0.641E-02
DAV: 43 -0.309559472872E+03 -0.48572E-03 -0.21593E-05 246 0.761E-03 0.670E-02
DAV: 44 -0.309559796791E+03 -0.32392E-03 -0.31965E-05 246 0.692E-03 0.140E-02
DAV: 45 -0.309560008653E+03 -0.21186E-03 -0.92720E-06 228 0.510E-03 0.606E-02
DAV: 46 -0.309560065029E+03 -0.56377E-04 -0.40446E-06 219 0.373E-03 0.291E-02
DAV: 47 -0.309560138666E+03 -0.73637E-04 -0.42888E-06 219 0.254E-03 0.439E-03
DAV: 48 -0.309560177082E+03 -0.38415E-04 -0.12882E-06 210 0.204E-03 0.938E-03
DAV: 49 -0.309560195379E+03 -0.18297E-04 -0.12025E-06 210 0.133E-03 0.721E-03
DAV: 50 -0.309560202712E+03 -0.73325E-05 -0.45246E-07 210 0.120E-03
1 F= -.30956020E+03 E0= -.30947608E+03 d E =-.252382E+00