iterations/neb0_image07_iter28_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 0.145001778746E+04 0.14500E+04 -0.44230E+04 330 0.697E+02
DAV: 2 0.227307803879E+03 -0.12227E+04 -0.11464E+04 426 0.163E+02
DAV: 3 -0.364890879546E+03 -0.59220E+03 -0.58864E+03 354 0.114E+02
DAV: 4 -0.433011138675E+03 -0.68120E+02 -0.67873E+02 309 0.491E+01
DAV: 5 -0.434510923558E+03 -0.14998E+01 -0.14970E+01 327 0.759E+00 0.426E+01
DAV: 6 -0.388792270399E+03 0.45719E+02 -0.14848E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385370993816E+03 0.34213E+01 -0.12974E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.383899627987E+03 0.14714E+01 -0.18427E+00 336 0.379E+00 0.431E+00
DAV: 9 -0.383383272775E+03 0.51636E+00 -0.16829E+00 336 0.228E+00 0.116E+00
DAV: 10 -0.383308773488E+03 0.74499E-01 -0.18650E-01 327 0.103E+00 0.948E-01
DAV: 11 -0.383282510721E+03 0.26263E-01 -0.11008E-01 318 0.598E-01 0.846E-01
DAV: 12 -0.383259973881E+03 0.22537E-01 -0.12166E-01 381 0.654E-01 0.106E+00
DAV: 13 -0.383240469369E+03 0.19505E-01 -0.26327E-01 372 0.579E-01 0.520E-01
DAV: 14 -0.383229524163E+03 0.10945E-01 -0.17564E-02 309 0.424E-01 0.543E-01
DAV: 15 -0.383227707492E+03 0.18167E-02 -0.21120E-02 336 0.294E-01 0.546E-01
DAV: 16 -0.383227246921E+03 0.46057E-03 -0.11733E-02 300 0.244E-01 0.276E-01
DAV: 17 -0.383237057328E+03 -0.98104E-02 -0.76646E-03 318 0.232E-01 0.106E-01
DAV: 18 -0.383250869760E+03 -0.13812E-01 -0.45287E-03 282 0.246E-01 0.858E-02
DAV: 19 -0.383256930672E+03 -0.60609E-02 -0.19079E-03 327 0.116E-01 0.106E-01
DAV: 20 -0.383260933361E+03 -0.40027E-02 -0.39045E-04 327 0.450E-02 0.138E-01
DAV: 21 -0.383269815154E+03 -0.88818E-02 -0.12713E-03 291 0.707E-02 0.618E-02
DAV: 22 -0.383273255107E+03 -0.34400E-02 -0.43623E-04 336 0.460E-02 0.501E-02
DAV: 23 -0.383274845777E+03 -0.15907E-02 -0.24416E-04 354 0.345E-02 0.297E-02
DAV: 24 -0.383275836139E+03 -0.99036E-03 -0.42272E-05 291 0.166E-02 0.208E-02
DAV: 25 -0.383277975715E+03 -0.21396E-02 -0.12996E-04 282 0.189E-02 0.203E-02
DAV: 26 -0.383278403461E+03 -0.42775E-03 -0.20677E-05 237 0.876E-03 0.797E-03
DAV: 27 -0.383278782332E+03 -0.37887E-03 -0.15354E-05 228 0.775E-03 0.518E-03
DAV: 28 -0.383279035090E+03 -0.25276E-03 -0.79447E-06 219 0.541E-03 0.265E-03
DAV: 29 -0.383279100846E+03 -0.65756E-04 -0.32062E-06 237 0.376E-03 0.165E-03
DAV: 30 -0.383279165260E+03 -0.64414E-04 -0.27989E-06 192 0.322E-03 0.376E-03
DAV: 31 -0.383279185545E+03 -0.20285E-04 -0.13837E-06 219 0.216E-03 0.204E-03
DAV: 32 -0.383279195284E+03 -0.97390E-05 -0.57993E-07 219 0.150E-03
1 F= -.38327920E+03 E0= -.38329622E+03 d E =0.510792E-01