iterations/neb0_image09_iter37_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 0.143903141626E+04 0.14390E+04 -0.44176E+04 330 0.697E+02
DAV: 2 0.232712280314E+03 -0.12063E+04 -0.11313E+04 417 0.162E+02
DAV: 3 -0.360551515575E+03 -0.59326E+03 -0.58889E+03 372 0.114E+02
DAV: 4 -0.427067654195E+03 -0.66516E+02 -0.66217E+02 309 0.469E+01
DAV: 5 -0.428542790999E+03 -0.14751E+01 -0.14716E+01 318 0.733E+00 0.421E+01
DAV: 6 -0.383997850396E+03 0.44545E+02 -0.14743E+02 300 0.286E+01 0.205E+01
DAV: 7 -0.380696054611E+03 0.33018E+01 -0.11466E+01 327 0.766E+00 0.102E+01
DAV: 8 -0.379259453992E+03 0.14366E+01 -0.18084E+00 327 0.371E+00 0.410E+00
DAV: 9 -0.378708554005E+03 0.55090E+00 -0.56052E-01 327 0.186E+00 0.870E-01
DAV: 10 -0.378654299962E+03 0.54254E-01 -0.86595E-02 336 0.845E-01 0.616E-01
DAV: 11 -0.378619099491E+03 0.35200E-01 -0.20714E-02 318 0.436E-01 0.327E-01
DAV: 12 -0.378600702217E+03 0.18397E-01 -0.15719E-02 327 0.418E-01 0.182E-01
DAV: 13 -0.378600573403E+03 0.12881E-03 -0.14052E-02 309 0.402E-01 0.135E-01
DAV: 14 -0.378614683340E+03 -0.14110E-01 -0.79686E-03 327 0.296E-01 0.836E-02
DAV: 15 -0.378624818829E+03 -0.10135E-01 -0.30810E-03 318 0.174E-01 0.569E-02
DAV: 16 -0.378632399768E+03 -0.75809E-02 -0.88604E-04 336 0.771E-02 0.475E-02
DAV: 17 -0.378640785548E+03 -0.83858E-02 -0.44374E-04 309 0.467E-02 0.258E-02
DAV: 18 -0.378646812749E+03 -0.60272E-02 -0.30643E-04 300 0.342E-02 0.189E-02
DAV: 19 -0.378650446888E+03 -0.36341E-02 -0.21310E-04 327 0.306E-02 0.106E-02
DAV: 20 -0.378652028602E+03 -0.15817E-02 -0.53184E-05 291 0.162E-02 0.765E-03
DAV: 21 -0.378653318428E+03 -0.12898E-02 -0.63883E-05 282 0.142E-02 0.481E-03
DAV: 22 -0.378653725675E+03 -0.40725E-03 -0.11990E-05 228 0.811E-03 0.269E-03
DAV: 23 -0.378653960435E+03 -0.23476E-03 -0.11508E-05 219 0.715E-03 0.321E-03
DAV: 24 -0.378654029393E+03 -0.68957E-04 -0.23297E-06 228 0.443E-03 0.196E-03
DAV: 25 -0.378654107375E+03 -0.77983E-04 -0.39123E-06 201 0.494E-03 0.133E-03
DAV: 26 -0.378654142533E+03 -0.35158E-04 -0.14950E-06 219 0.269E-03 0.107E-03
DAV: 27 -0.378654157112E+03 -0.14579E-04 -0.67152E-07 219 0.175E-03 0.529E-04
DAV: 28 -0.378654170432E+03 -0.13320E-04 -0.52118E-07 210 0.146E-03 0.373E-04
DAV: 29 -0.378654177131E+03 -0.66989E-05 -0.26414E-07 219 0.924E-04
1 F= -.37865418E+03 E0= -.37865804E+03 d E =0.115958E-01