iterations/neb0_image04_iter49_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 0.144873649179E+04 0.14487E+04 -0.44204E+04 330 0.697E+02
DAV: 2 0.223931618466E+03 -0.12248E+04 -0.11488E+04 435 0.163E+02
DAV: 3 -0.362925187731E+03 -0.58686E+03 -0.58378E+03 345 0.114E+02
DAV: 4 -0.433332805148E+03 -0.70408E+02 -0.70168E+02 309 0.508E+01
DAV: 5 -0.434926519180E+03 -0.15937E+01 -0.15911E+01 327 0.783E+00 0.426E+01
DAV: 6 -0.389022650956E+03 0.45904E+02 -0.14791E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385563193925E+03 0.34595E+01 -0.13315E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384079660095E+03 0.14835E+01 -0.18076E+00 327 0.378E+00 0.430E+00
DAV: 9 -0.383551334837E+03 0.52833E+00 -0.12652E+00 336 0.212E+00 0.107E+00
DAV: 10 -0.383484974790E+03 0.66360E-01 -0.14851E-01 327 0.910E-01 0.936E-01
DAV: 11 -0.383461283327E+03 0.23691E-01 -0.13422E-01 336 0.579E-01 0.887E-01
DAV: 12 -0.383452851057E+03 0.84323E-02 -0.19587E-01 354 0.667E-01 0.109E+00
DAV: 13 -0.383418189920E+03 0.34661E-01 -0.11669E-01 354 0.524E-01 0.378E-01
DAV: 14 -0.383409711793E+03 0.84781E-02 -0.21809E-02 309 0.413E-01 0.247E-01
DAV: 15 -0.383410604356E+03 -0.89256E-03 -0.31813E-02 309 0.322E-01 0.491E-01
DAV: 16 -0.383413066984E+03 -0.24626E-02 -0.40390E-02 318 0.247E-01 0.193E-01
DAV: 17 -0.383418662189E+03 -0.55952E-02 -0.33330E-03 291 0.165E-01 0.137E-01
DAV: 18 -0.383428868222E+03 -0.10206E-01 -0.36811E-03 291 0.158E-01 0.154E-01
DAV: 19 -0.383437758802E+03 -0.88906E-02 -0.23662E-03 318 0.125E-01 0.585E-02
DAV: 20 -0.383444484014E+03 -0.67252E-02 -0.87601E-04 318 0.859E-02 0.379E-02
DAV: 21 -0.383450573020E+03 -0.60890E-02 -0.42318E-04 327 0.492E-02 0.579E-02
DAV: 22 -0.383454681251E+03 -0.41082E-02 -0.21988E-04 309 0.301E-02 0.187E-02
DAV: 23 -0.383459446524E+03 -0.47653E-02 -0.30362E-04 291 0.312E-02 0.155E-02
DAV: 24 -0.383460901509E+03 -0.14550E-02 -0.55525E-05 309 0.137E-02 0.107E-02
DAV: 25 -0.383462122579E+03 -0.12211E-02 -0.58601E-05 282 0.133E-02 0.489E-03
DAV: 26 -0.383462507495E+03 -0.38492E-03 -0.90759E-06 237 0.685E-03 0.548E-03
DAV: 27 -0.383462831668E+03 -0.32417E-03 -0.17720E-05 237 0.749E-03 0.387E-03
DAV: 28 -0.383462898212E+03 -0.66544E-04 -0.28070E-06 237 0.374E-03 0.319E-03
DAV: 29 -0.383462981614E+03 -0.83402E-04 -0.31290E-06 201 0.385E-03 0.297E-03
DAV: 30 -0.383462995067E+03 -0.13452E-04 -0.72465E-07 228 0.223E-03 0.146E-03
DAV: 31 -0.383463009490E+03 -0.14423E-04 -0.83237E-07 210 0.237E-03 0.757E-04
DAV: 32 -0.383463020258E+03 -0.10768E-04 -0.33354E-07 219 0.133E-03 0.618E-04
DAV: 33 -0.383463025486E+03 -0.52285E-05 -0.18631E-07 228 0.823E-04
1 F= -.38346303E+03 E0= -.38347977E+03 d E =0.502424E-01