iterations/neb0_image07_iter52_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 0.144626315824E+04 0.14463E+04 -0.44232E+04 330 0.697E+02
DAV: 2 0.231333110628E+03 -0.12149E+04 -0.11389E+04 417 0.163E+02
DAV: 3 -0.367301308607E+03 -0.59863E+03 -0.59507E+03 363 0.116E+02
DAV: 4 -0.432253038570E+03 -0.64952E+02 -0.64732E+02 309 0.476E+01
DAV: 5 -0.433668485238E+03 -0.14154E+01 -0.14128E+01 327 0.733E+00 0.426E+01
DAV: 6 -0.387956855084E+03 0.45712E+02 -0.14960E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384552061700E+03 0.34048E+01 -0.13134E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383082284400E+03 0.14698E+01 -0.21503E+00 327 0.389E+00 0.433E+00
DAV: 9 -0.382518337130E+03 0.56395E+00 -0.69561E-01 336 0.203E+00 0.114E+00
DAV: 10 -0.382474065664E+03 0.44271E-01 -0.28100E-01 345 0.107E+00 0.105E+00
DAV: 11 -0.382441648313E+03 0.32417E-01 -0.89668E-02 336 0.553E-01 0.809E-01
DAV: 12 -0.382429798128E+03 0.11850E-01 -0.22305E-02 372 0.430E-01 0.555E-01
DAV: 13 -0.382405707042E+03 0.24091E-01 -0.19893E-02 309 0.401E-01 0.310E-01
DAV: 14 -0.382397952544E+03 0.77545E-02 -0.14057E-02 336 0.369E-01 0.258E-01
DAV: 15 -0.382405564363E+03 -0.76118E-02 -0.17712E-02 345 0.408E-01 0.272E-01
DAV: 16 -0.382411793610E+03 -0.62292E-02 -0.66755E-03 309 0.210E-01 0.154E-01
DAV: 17 -0.382418674587E+03 -0.68810E-02 -0.18745E-03 309 0.121E-01 0.123E-01
DAV: 18 -0.382426705759E+03 -0.80312E-02 -0.16022E-03 309 0.111E-01 0.691E-02
DAV: 19 -0.382433565277E+03 -0.68595E-02 -0.64698E-04 336 0.842E-02 0.595E-02
DAV: 20 -0.382440871839E+03 -0.73066E-02 -0.69066E-04 318 0.675E-02 0.286E-02
DAV: 21 -0.382445432541E+03 -0.45607E-02 -0.16621E-04 336 0.289E-02 0.205E-02
DAV: 22 -0.382449795474E+03 -0.43629E-02 -0.25628E-04 291 0.322E-02 0.138E-02
DAV: 23 -0.382451855844E+03 -0.20604E-02 -0.10451E-04 318 0.182E-02 0.103E-02
DAV: 24 -0.382452493043E+03 -0.63720E-03 -0.27494E-05 282 0.148E-02 0.633E-03
DAV: 25 -0.382453003222E+03 -0.51018E-03 -0.11904E-05 201 0.811E-03 0.476E-03
DAV: 26 -0.382453458003E+03 -0.45478E-03 -0.25307E-05 246 0.917E-03 0.310E-03
DAV: 27 -0.382453532513E+03 -0.74510E-04 -0.27226E-06 237 0.431E-03 0.166E-03
DAV: 28 -0.382453612663E+03 -0.80150E-04 -0.25910E-06 192 0.431E-03 0.168E-03
DAV: 29 -0.382453662947E+03 -0.50284E-04 -0.15116E-06 201 0.262E-03 0.172E-03
DAV: 30 -0.382453679994E+03 -0.17047E-04 -0.63544E-07 228 0.191E-03 0.106E-03
DAV: 31 -0.382453697620E+03 -0.17626E-04 -0.12705E-06 201 0.303E-03 0.119E-03
DAV: 32 -0.382453701173E+03 -0.35533E-05 -0.29923E-07 228 0.149E-03
1 F= -.38245370E+03 E0= -.38247140E+03 d E =0.530915E-01