iterations/neb0_image07_iter59_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 0.144681301493E+04 0.14468E+04 -0.44223E+04 330 0.697E+02
DAV: 2 0.231176026284E+03 -0.12156E+04 -0.11394E+04 417 0.163E+02
DAV: 3 -0.362612838084E+03 -0.59379E+03 -0.59040E+03 363 0.114E+02
DAV: 4 -0.431297619545E+03 -0.68685E+02 -0.68424E+02 309 0.492E+01
DAV: 5 -0.432824247556E+03 -0.15266E+01 -0.15241E+01 327 0.760E+00 0.426E+01
DAV: 6 -0.387095668205E+03 0.45729E+02 -0.14920E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.383686599467E+03 0.34091E+01 -0.12415E+01 345 0.769E+00 0.104E+01
DAV: 8 -0.382279690231E+03 0.14069E+01 -0.22031E+00 327 0.389E+00 0.436E+00
DAV: 9 -0.381720750533E+03 0.55894E+00 -0.11110E+00 336 0.222E+00 0.104E+00
DAV: 10 -0.381655163694E+03 0.65587E-01 -0.16141E-01 327 0.999E-01 0.787E-01
DAV: 11 -0.381623548508E+03 0.31615E-01 -0.48449E-02 336 0.577E-01 0.531E-01
DAV: 12 -0.381613327413E+03 0.10221E-01 -0.21060E-01 390 0.620E-01 0.972E-01
DAV: 13 -0.381591675707E+03 0.21652E-01 -0.12084E-01 363 0.476E-01 0.271E-01
DAV: 14 -0.381590530083E+03 0.11456E-02 -0.16131E-02 300 0.379E-01 0.163E-01
DAV: 15 -0.381596254342E+03 -0.57243E-02 -0.60934E-03 318 0.230E-01 0.123E-01
DAV: 16 -0.381606621075E+03 -0.10367E-01 -0.21571E-03 300 0.158E-01 0.107E-01
DAV: 17 -0.381618234978E+03 -0.11614E-01 -0.34205E-03 309 0.185E-01 0.855E-02
DAV: 18 -0.381625892490E+03 -0.76575E-02 -0.21237E-03 327 0.137E-01 0.569E-02
DAV: 19 -0.381629821204E+03 -0.39287E-02 -0.52071E-04 318 0.603E-02 0.776E-02
DAV: 20 -0.381634023906E+03 -0.42027E-02 -0.22086E-04 327 0.318E-02 0.367E-02
DAV: 21 -0.381639212932E+03 -0.51890E-02 -0.40424E-04 309 0.381E-02 0.186E-02
DAV: 22 -0.381641149720E+03 -0.19368E-02 -0.10688E-04 327 0.223E-02 0.149E-02
DAV: 23 -0.381642215691E+03 -0.10660E-02 -0.46470E-05 282 0.144E-02 0.706E-03
DAV: 24 -0.381642793608E+03 -0.57792E-03 -0.20150E-05 246 0.921E-03 0.872E-03
DAV: 25 -0.381643104928E+03 -0.31132E-03 -0.20004E-05 228 0.102E-02 0.763E-03
DAV: 26 -0.381643140894E+03 -0.35966E-04 -0.40144E-06 237 0.511E-03 0.625E-03
DAV: 27 -0.381643253638E+03 -0.11274E-03 -0.46176E-06 219 0.568E-03 0.282E-03
DAV: 28 -0.381643310668E+03 -0.57031E-04 -0.34176E-06 228 0.442E-03 0.334E-03
DAV: 29 -0.381643331433E+03 -0.20765E-04 -0.10368E-06 228 0.283E-03 0.334E-03
DAV: 30 -0.381643351652E+03 -0.20219E-04 -0.11791E-06 210 0.304E-03 0.138E-03
DAV: 31 -0.381643362235E+03 -0.10584E-04 -0.57359E-07 228 0.193E-03 0.752E-04
DAV: 32 -0.381643372250E+03 -0.10015E-04 -0.39091E-07 228 0.167E-03 0.602E-04
DAV: 33 -0.381643381647E+03 -0.93971E-05 -0.46064E-07 210 0.170E-03
1 F= -.38164338E+03 E0= -.38165462E+03 d E =0.337068E-01