iterations/neb0_image02_iter43_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 0.144852829680E+04 0.14485E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224434833121E+03 -0.12241E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.363054891242E+03 -0.58749E+03 -0.58435E+03 345 0.114E+02
DAV: 4 -0.433529268836E+03 -0.70474E+02 -0.70246E+02 309 0.508E+01
DAV: 5 -0.435111687388E+03 -0.15824E+01 -0.15798E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389071290616E+03 0.46040E+02 -0.14828E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385580026666E+03 0.34913E+01 -0.12791E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.384148908768E+03 0.14311E+01 -0.27930E+00 336 0.388E+00 0.435E+00
DAV: 9 -0.383579089671E+03 0.56982E+00 -0.93597E-01 336 0.216E+00 0.128E+00
DAV: 10 -0.383515692020E+03 0.63398E-01 -0.55749E-01 336 0.124E+00 0.114E+00
DAV: 11 -0.383484245079E+03 0.31447E-01 -0.17759E-01 336 0.641E-01 0.928E-01
DAV: 12 -0.383474072914E+03 0.10172E-01 -0.98914E-02 354 0.501E-01 0.644E-01
DAV: 13 -0.383445670687E+03 0.28402E-01 -0.25875E-02 318 0.506E-01 0.402E-01
DAV: 14 -0.383443492606E+03 0.21781E-02 -0.17562E-02 327 0.419E-01 0.644E-01
DAV: 15 -0.383436721481E+03 0.67711E-02 -0.52920E-02 336 0.363E-01 0.251E-01
DAV: 16 -0.383442709633E+03 -0.59882E-02 -0.67502E-03 300 0.277E-01 0.134E-01
DAV: 17 -0.383454664609E+03 -0.11955E-01 -0.53840E-03 300 0.220E-01 0.170E-01
DAV: 18 -0.383461482977E+03 -0.68184E-02 -0.19704E-03 336 0.169E-01 0.137E-01
DAV: 19 -0.383469094980E+03 -0.76120E-02 -0.87434E-04 291 0.947E-02 0.741E-02
DAV: 20 -0.383476284263E+03 -0.71893E-02 -0.53783E-04 336 0.597E-02 0.570E-02
DAV: 21 -0.383482560703E+03 -0.62764E-02 -0.38866E-04 318 0.513E-02 0.516E-02
DAV: 22 -0.383488118523E+03 -0.55578E-02 -0.32907E-04 309 0.391E-02 0.257E-02
DAV: 23 -0.383489539468E+03 -0.14209E-02 -0.93679E-05 345 0.243E-02 0.134E-02
DAV: 24 -0.383490849469E+03 -0.13100E-02 -0.46294E-05 282 0.152E-02 0.117E-02
DAV: 25 -0.383491899852E+03 -0.10504E-02 -0.33406E-05 273 0.109E-02 0.100E-02
DAV: 26 -0.383492508282E+03 -0.60843E-03 -0.22263E-05 246 0.911E-03 0.946E-03
DAV: 27 -0.383492854636E+03 -0.34635E-03 -0.11153E-05 219 0.669E-03 0.502E-03
DAV: 28 -0.383492982291E+03 -0.12765E-03 -0.54892E-06 228 0.508E-03 0.165E-03
DAV: 29 -0.383493064962E+03 -0.82671E-04 -0.33650E-06 201 0.395E-03 0.239E-03
DAV: 30 -0.383493080595E+03 -0.15633E-04 -0.10260E-06 237 0.215E-03 0.302E-03
DAV: 31 -0.383493118281E+03 -0.37686E-04 -0.16085E-06 183 0.337E-03 0.154E-03
DAV: 32 -0.383493127271E+03 -0.89899E-05 -0.60686E-07 219 0.185E-03
1 F= -.38349313E+03 E0= -.38350955E+03 d E =0.492547E-01