iterations/neb0_image03_iter35_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 0.144944374646E+04 0.14494E+04 -0.44202E+04 330 0.697E+02
DAV: 2 0.224565156329E+03 -0.12249E+04 -0.11486E+04 435 0.163E+02
DAV: 3 -0.362674042782E+03 -0.58724E+03 -0.58399E+03 345 0.114E+02
DAV: 4 -0.433483409003E+03 -0.70809E+02 -0.70581E+02 309 0.509E+01
DAV: 5 -0.435076590930E+03 -0.15932E+01 -0.15905E+01 318 0.783E+00 0.427E+01
DAV: 6 -0.389010668081E+03 0.46066E+02 -0.14833E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385525533112E+03 0.34851E+01 -0.12907E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384087797300E+03 0.14377E+01 -0.21530E+00 327 0.384E+00 0.438E+00
DAV: 9 -0.383533899006E+03 0.55390E+00 -0.12996E+00 345 0.230E+00 0.130E+00
DAV: 10 -0.383462858674E+03 0.71040E-01 -0.39196E-01 327 0.112E+00 0.123E+00
DAV: 11 -0.383437230438E+03 0.25628E-01 -0.29488E-01 354 0.635E-01 0.879E-01
DAV: 12 -0.383413029996E+03 0.24200E-01 -0.73559E-02 318 0.493E-01 0.633E-01
DAV: 13 -0.383406279218E+03 0.67508E-02 -0.56737E-02 354 0.679E-01 0.119E+00
DAV: 14 -0.383391906650E+03 0.14373E-01 -0.21513E-01 345 0.427E-01 0.950E-01
DAV: 15 -0.383383305394E+03 0.86013E-02 -0.66304E-02 363 0.333E-01 0.572E-01
DAV: 16 -0.383380771649E+03 0.25337E-02 -0.25500E-02 318 0.402E-01 0.308E-01
DAV: 17 -0.383385499901E+03 -0.47283E-02 -0.55321E-03 345 0.264E-01 0.167E-01
DAV: 18 -0.383394549291E+03 -0.90494E-02 -0.20988E-03 282 0.152E-01 0.251E-01
DAV: 19 -0.383406144856E+03 -0.11596E-01 -0.29730E-03 300 0.166E-01 0.136E-01
DAV: 20 -0.383412641856E+03 -0.64970E-02 -0.14781E-03 354 0.125E-01 0.702E-02
DAV: 21 -0.383419605377E+03 -0.69635E-02 -0.57662E-04 318 0.655E-02 0.903E-02
DAV: 22 -0.383425436804E+03 -0.58314E-02 -0.25729E-04 318 0.340E-02 0.762E-02
DAV: 23 -0.383428731278E+03 -0.32945E-02 -0.19022E-04 336 0.341E-02 0.290E-02
DAV: 24 -0.383430959415E+03 -0.22281E-02 -0.11167E-04 318 0.239E-02 0.121E-02
DAV: 25 -0.383432306689E+03 -0.13473E-02 -0.44967E-05 300 0.141E-02 0.120E-02
DAV: 26 -0.383433266996E+03 -0.96031E-03 -0.41495E-05 282 0.147E-02 0.251E-02
DAV: 27 -0.383433624920E+03 -0.35792E-03 -0.12707E-05 246 0.884E-03 0.123E-02
DAV: 28 -0.383433784171E+03 -0.15925E-03 -0.10326E-05 237 0.796E-03 0.562E-03
DAV: 29 -0.383433836529E+03 -0.52358E-04 -0.24376E-06 237 0.462E-03 0.300E-03
DAV: 30 -0.383433879018E+03 -0.42489E-04 -0.11241E-06 201 0.285E-03 0.219E-03
DAV: 31 -0.383433971016E+03 -0.91998E-04 -0.41473E-06 210 0.574E-03 0.401E-03
DAV: 32 -0.383433989085E+03 -0.18069E-04 -0.10857E-06 228 0.292E-03 0.294E-03
DAV: 33 -0.383433994633E+03 -0.55476E-05 -0.67174E-07 237 0.235E-03
1 F= -.38343399E+03 E0= -.38345040E+03 d E =0.492289E-01