iterations/neb0_image08_iter33_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 0.144859741919E+04 0.14486E+04 -0.44240E+04 330 0.697E+02
DAV: 2 0.231433921823E+03 -0.12172E+04 -0.11418E+04 417 0.163E+02
DAV: 3 -0.363665208171E+03 -0.59510E+03 -0.59159E+03 354 0.116E+02
DAV: 4 -0.432559132789E+03 -0.68894E+02 -0.68642E+02 300 0.498E+01
DAV: 5 -0.434120102823E+03 -0.15610E+01 -0.15579E+01 336 0.771E+00 0.426E+01
DAV: 6 -0.388488025926E+03 0.45632E+02 -0.14839E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385069083146E+03 0.34189E+01 -0.12860E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.383609694309E+03 0.14594E+01 -0.20899E+00 327 0.383E+00 0.431E+00
DAV: 9 -0.383052769124E+03 0.55693E+00 -0.76004E-01 336 0.213E+00 0.111E+00
DAV: 10 -0.382980107286E+03 0.72662E-01 -0.10974E-01 345 0.928E-01 0.749E-01
DAV: 11 -0.382952611519E+03 0.27496E-01 -0.34201E-02 327 0.463E-01 0.532E-01
DAV: 12 -0.382927306500E+03 0.25305E-01 -0.29680E-02 327 0.417E-01 0.412E-01
DAV: 13 -0.382921012120E+03 0.62944E-02 -0.36406E-02 354 0.432E-01 0.430E-01
DAV: 14 -0.382917756008E+03 0.32561E-02 -0.18361E-02 327 0.337E-01 0.307E-01
DAV: 15 -0.382922207748E+03 -0.44517E-02 -0.12661E-02 291 0.253E-01 0.122E-01
DAV: 16 -0.382933498120E+03 -0.11290E-01 -0.51112E-03 291 0.225E-01 0.926E-02
DAV: 17 -0.382942795389E+03 -0.92973E-02 -0.28351E-03 327 0.160E-01 0.517E-02
DAV: 18 -0.382951252098E+03 -0.84567E-02 -0.92705E-04 300 0.837E-02 0.578E-02
DAV: 19 -0.382956680916E+03 -0.54288E-02 -0.23075E-04 327 0.377E-02 0.443E-02
DAV: 20 -0.382963395184E+03 -0.67143E-02 -0.36469E-04 282 0.411E-02 0.237E-02
DAV: 21 -0.382967012469E+03 -0.36173E-02 -0.20673E-04 336 0.274E-02 0.193E-02
DAV: 22 -0.382969026822E+03 -0.20144E-02 -0.93159E-05 291 0.220E-02 0.131E-02
DAV: 23 -0.382970485123E+03 -0.14583E-02 -0.60202E-05 300 0.141E-02 0.752E-03
DAV: 24 -0.382971175785E+03 -0.69066E-03 -0.25106E-05 246 0.105E-02 0.405E-03
DAV: 25 -0.382971596436E+03 -0.42065E-03 -0.16105E-05 228 0.842E-03 0.319E-03
DAV: 26 -0.382971753819E+03 -0.15738E-03 -0.45495E-06 219 0.463E-03 0.221E-03
DAV: 27 -0.382971857601E+03 -0.10378E-03 -0.41110E-06 210 0.389E-03 0.182E-03
DAV: 28 -0.382971902297E+03 -0.44696E-04 -0.17302E-06 210 0.267E-03 0.919E-04
DAV: 29 -0.382971932032E+03 -0.29736E-04 -0.14200E-06 201 0.250E-03 0.613E-04
DAV: 30 -0.382971945518E+03 -0.13486E-04 -0.60374E-07 228 0.158E-03 0.429E-04
DAV: 31 -0.382971952614E+03 -0.70963E-05 -0.31939E-07 201 0.934E-04
1 F= -.38297195E+03 E0= -.38298926E+03 d E =0.519257E-01