./iterations/neb0_image09_iter19_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145384999232E+04 0.14538E+04 -0.44277E+04 330 0.697E+02
DAV: 2 0.231353963888E+03 -0.12225E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.362432118382E+03 -0.59379E+03 -0.58965E+03 363 0.114E+02
DAV: 4 -0.432558148298E+03 -0.70126E+02 -0.69849E+02 309 0.491E+01
DAV: 5 -0.434123852143E+03 -0.15657E+01 -0.15625E+01 327 0.763E+00 0.428E+01
DAV: 6 -0.388169377910E+03 0.45954E+02 -0.14916E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384708939947E+03 0.34604E+01 -0.12903E+01 345 0.784E+00 0.104E+01
DAV: 8 -0.383241051010E+03 0.14679E+01 -0.18657E+00 345 0.387E+00 0.422E+00
DAV: 9 -0.382684709424E+03 0.55634E+00 -0.63821E-01 336 0.198E+00 0.101E+00
DAV: 10 -0.382639568262E+03 0.45141E-01 -0.26623E-01 354 0.940E-01 0.100E+00
DAV: 11 -0.382609783001E+03 0.29785E-01 -0.21252E-01 327 0.570E-01 0.684E-01
DAV: 12 -0.382576951977E+03 0.32831E-01 -0.26304E-02 327 0.471E-01 0.325E-01
DAV: 13 -0.382563804089E+03 0.13148E-01 -0.20979E-02 327 0.498E-01 0.238E-01
DAV: 14 -0.382564972007E+03 -0.11679E-02 -0.89096E-03 327 0.301E-01 0.177E-01
DAV: 15 -0.382570922251E+03 -0.59502E-02 -0.30637E-03 291 0.207E-01 0.114E-01
DAV: 16 -0.382581421411E+03 -0.10499E-01 -0.38242E-03 300 0.214E-01 0.863E-02
DAV: 17 -0.382591284160E+03 -0.98627E-02 -0.24336E-03 327 0.148E-01 0.600E-02
DAV: 18 -0.382598819670E+03 -0.75355E-02 -0.64526E-04 354 0.778E-02 0.425E-02
DAV: 19 -0.382607138545E+03 -0.83189E-02 -0.51288E-04 300 0.605E-02 0.390E-02
DAV: 20 -0.382609068850E+03 -0.19303E-02 -0.11211E-04 318 0.299E-02 0.259E-02
DAV: 21 -0.382613491552E+03 -0.44227E-02 -0.28546E-04 291 0.366E-02 0.179E-02
DAV: 22 -0.382615487062E+03 -0.19955E-02 -0.78341E-05 309 0.207E-02 0.127E-02
DAV: 23 -0.382616743234E+03 -0.12562E-02 -0.48031E-05 282 0.136E-02 0.689E-03
DAV: 24 -0.382617655151E+03 -0.91192E-03 -0.39107E-05 291 0.117E-02 0.508E-03
DAV: 25 -0.382618044866E+03 -0.38971E-03 -0.84015E-06 219 0.612E-03 0.373E-03
DAV: 26 -0.382618288179E+03 -0.24331E-03 -0.95931E-06 228 0.539E-03 0.235E-03
DAV: 27 -0.382618385741E+03 -0.97562E-04 -0.28210E-06 219 0.360E-03 0.188E-03
DAV: 28 -0.382618451731E+03 -0.65990E-04 -0.22232E-06 201 0.324E-03 0.105E-03
DAV: 29 -0.382618477997E+03 -0.26266E-04 -0.12185E-06 210 0.248E-03 0.767E-04
DAV: 30 -0.382618495479E+03 -0.17482E-04 -0.72384E-07 201 0.175E-03 0.509E-04
DAV: 31 -0.382618501396E+03 -0.59169E-05 -0.31245E-07 228 0.101E-03
1 F= -.38261850E+03 E0= -.38263564E+03 d E =0.514277E-01