iterations/neb0_image03_iter48_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 0.145063452840E+04 0.14506E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.228651738674E+03 -0.12220E+04 -0.11458E+04 426 0.163E+02
DAV: 3 -0.361742505448E+03 -0.59039E+03 -0.58722E+03 345 0.114E+02
DAV: 4 -0.433266476662E+03 -0.71524E+02 -0.71288E+02 309 0.512E+01
DAV: 5 -0.434882799366E+03 -0.16163E+01 -0.16134E+01 327 0.790E+00 0.427E+01
DAV: 6 -0.388613992990E+03 0.46269E+02 -0.14864E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.385123245191E+03 0.34907E+01 -0.12731E+01 345 0.774E+00 0.104E+01
DAV: 8 -0.383663854422E+03 0.14594E+01 -0.17144E+00 327 0.362E+00 0.420E+00
DAV: 9 -0.383076514322E+03 0.58734E+00 -0.60613E-01 336 0.192E+00 0.944E-01
DAV: 10 -0.383047025039E+03 0.29489E-01 -0.44026E-01 336 0.103E+00 0.104E+00
DAV: 11 -0.383012789209E+03 0.34236E-01 -0.58761E-02 327 0.494E-01 0.833E-01
DAV: 12 -0.383002130355E+03 0.10659E-01 -0.10765E-01 345 0.396E-01 0.525E-01
DAV: 13 -0.382980290624E+03 0.21840E-01 -0.20074E-02 309 0.396E-01 0.415E-01
DAV: 14 -0.382972510391E+03 0.77802E-02 -0.21704E-02 336 0.409E-01 0.281E-01
DAV: 15 -0.382978981101E+03 -0.64707E-02 -0.10304E-02 336 0.333E-01 0.167E-01
DAV: 16 -0.382986956658E+03 -0.79756E-02 -0.78654E-03 291 0.204E-01 0.263E-01
DAV: 17 -0.382995751439E+03 -0.87948E-02 -0.25846E-02 336 0.203E-01 0.338E-01
DAV: 18 -0.383003851318E+03 -0.80999E-02 -0.12208E-02 309 0.155E-01 0.176E-01
DAV: 19 -0.383011514884E+03 -0.76636E-02 -0.11557E-03 318 0.838E-02 0.135E-01
DAV: 20 -0.383017500674E+03 -0.59858E-02 -0.19300E-03 345 0.591E-02 0.490E-02
DAV: 21 -0.383022658476E+03 -0.51578E-02 -0.33026E-04 300 0.444E-02 0.494E-02
DAV: 22 -0.383026882737E+03 -0.42243E-02 -0.26654E-04 309 0.318E-02 0.371E-02
DAV: 23 -0.383028082386E+03 -0.11996E-02 -0.85920E-05 327 0.217E-02 0.136E-02
DAV: 24 -0.383028939265E+03 -0.85688E-03 -0.33522E-05 264 0.135E-02 0.105E-02
DAV: 25 -0.383029465136E+03 -0.52587E-03 -0.29905E-05 264 0.129E-02 0.881E-03
DAV: 26 -0.383029775615E+03 -0.31048E-03 -0.76307E-06 219 0.630E-03 0.627E-03
DAV: 27 -0.383029908704E+03 -0.13309E-03 -0.60310E-06 228 0.619E-03 0.394E-03
DAV: 28 -0.383030000959E+03 -0.92255E-04 -0.38385E-06 210 0.547E-03 0.241E-03
DAV: 29 -0.383030045640E+03 -0.44681E-04 -0.19329E-06 219 0.340E-03 0.170E-03
DAV: 30 -0.383030070768E+03 -0.25128E-04 -0.13826E-06 228 0.337E-03 0.138E-03
DAV: 31 -0.383030093910E+03 -0.23142E-04 -0.93932E-07 210 0.217E-03 0.134E-03
DAV: 32 -0.383030099124E+03 -0.52141E-05 -0.41467E-07 219 0.143E-03
1 F= -.38303010E+03 E0= -.38304243E+03 d E =0.370055E-01