iterations/neb0_image06_iter24_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 0.145080352645E+04 0.14508E+04 -0.44224E+04 330 0.697E+02
DAV: 2 0.227528142387E+03 -0.12233E+04 -0.11470E+04 426 0.163E+02
DAV: 3 -0.365412011075E+03 -0.59294E+03 -0.58965E+03 354 0.114E+02
DAV: 4 -0.433215289169E+03 -0.67803E+02 -0.67549E+02 318 0.490E+01
DAV: 5 -0.434699757582E+03 -0.14845E+01 -0.14820E+01 318 0.757E+00 0.426E+01
DAV: 6 -0.388878531639E+03 0.45821E+02 -0.14834E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385443336696E+03 0.34352E+01 -0.13185E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383974609796E+03 0.14687E+01 -0.19927E+00 336 0.384E+00 0.430E+00
DAV: 9 -0.383435917330E+03 0.53869E+00 -0.70549E-01 336 0.213E+00 0.115E+00
DAV: 10 -0.383360267313E+03 0.75650E-01 -0.24647E-01 336 0.999E-01 0.101E+00
DAV: 11 -0.383343221287E+03 0.17046E-01 -0.91547E-02 327 0.572E-01 0.836E-01
DAV: 12 -0.383319648020E+03 0.23573E-01 -0.75758E-02 327 0.403E-01 0.629E-01
DAV: 13 -0.383310035961E+03 0.96121E-02 -0.20483E-01 363 0.588E-01 0.804E-01
DAV: 14 -0.383295657460E+03 0.14379E-01 -0.25026E-02 318 0.419E-01 0.466E-01
DAV: 15 -0.383295674594E+03 -0.17134E-04 -0.12745E-02 345 0.311E-01 0.292E-01
DAV: 16 -0.383300593325E+03 -0.49187E-02 -0.11357E-02 309 0.240E-01 0.237E-01
DAV: 17 -0.383306261867E+03 -0.56685E-02 -0.49458E-03 318 0.168E-01 0.120E-01
DAV: 18 -0.383317525486E+03 -0.11264E-01 -0.50166E-03 300 0.176E-01 0.237E-01
DAV: 19 -0.383326486206E+03 -0.89607E-02 -0.40154E-03 327 0.168E-01 0.789E-02
DAV: 20 -0.383334043084E+03 -0.75569E-02 -0.16298E-03 318 0.104E-01 0.735E-02
DAV: 21 -0.383337457639E+03 -0.34146E-02 -0.19624E-04 327 0.373E-02 0.739E-02
DAV: 22 -0.383341726743E+03 -0.42691E-02 -0.32946E-04 309 0.446E-02 0.460E-02
DAV: 23 -0.383345927983E+03 -0.42012E-02 -0.30058E-04 327 0.381E-02 0.300E-02
DAV: 24 -0.383347355929E+03 -0.14279E-02 -0.82037E-05 327 0.236E-02 0.216E-02
DAV: 25 -0.383348279628E+03 -0.92370E-03 -0.27974E-05 246 0.119E-02 0.145E-02
DAV: 26 -0.383349116541E+03 -0.83691E-03 -0.46583E-05 300 0.144E-02 0.104E-02
DAV: 27 -0.383349535165E+03 -0.41862E-03 -0.13855E-05 210 0.954E-03 0.497E-03
DAV: 28 -0.383349793542E+03 -0.25838E-03 -0.16326E-05 237 0.788E-03 0.564E-03
DAV: 29 -0.383349847968E+03 -0.54426E-04 -0.16260E-06 237 0.466E-03 0.397E-03
DAV: 30 -0.383349945932E+03 -0.97964E-04 -0.89420E-06 210 0.877E-03 0.395E-03
DAV: 31 -0.383349971835E+03 -0.25902E-04 -0.20944E-06 228 0.463E-03 0.367E-03
DAV: 32 -0.383349992456E+03 -0.20622E-04 -0.14287E-06 201 0.300E-03 0.230E-03
DAV: 33 -0.383350010338E+03 -0.17881E-04 -0.76843E-07 219 0.260E-03 0.108E-03
DAV: 34 -0.383350029544E+03 -0.19207E-04 -0.11164E-06 210 0.261E-03 0.220E-03
DAV: 35 -0.383350033004E+03 -0.34604E-05 -0.24255E-07 228 0.155E-03
1 F= -.38335003E+03 E0= -.38336681E+03 d E =0.503282E-01