iterations/neb0_image05_iter17_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161966045102E+04 0.16197E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.300110431797E+03 -0.13196E+04 -0.12415E+04 420 0.168E+02
DAV: 3 -0.358392720226E+03 -0.65850E+03 -0.65498E+03 364 0.123E+02
DAV: 4 -0.433362122983E+03 -0.74969E+02 -0.74692E+02 308 0.528E+01
DAV: 5 -0.435026750235E+03 -0.16646E+01 -0.16619E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389019810360E+03 0.46007E+02 -0.14969E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385516660842E+03 0.35031E+01 -0.12541E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384092419231E+03 0.14242E+01 -0.27134E+00 332 0.389E+00 0.434E+00
DAV: 9 -0.383543516373E+03 0.54890E+00 -0.95776E-01 324 0.206E+00 0.112E+00
DAV: 10 -0.383469192880E+03 0.74323E-01 -0.19508E-01 340 0.990E-01 0.842E-01
DAV: 11 -0.383447937643E+03 0.21255E-01 -0.69759E-02 316 0.495E-01 0.680E-01
DAV: 12 -0.383434656256E+03 0.13281E-01 -0.23456E-01 308 0.535E-01 0.451E-01
DAV: 13 -0.383427476907E+03 0.71793E-02 -0.23176E-02 316 0.359E-01 0.413E-01
DAV: 14 -0.383427762028E+03 -0.28512E-03 -0.54891E-02 332 0.376E-01 0.440E-01
DAV: 15 -0.383430228318E+03 -0.24663E-02 -0.28319E-02 332 0.314E-01 0.228E-01
DAV: 16 -0.383434639747E+03 -0.44114E-02 -0.31306E-03 332 0.163E-01 0.237E-01
DAV: 17 -0.383438384745E+03 -0.37450E-02 -0.24411E-03 324 0.143E-01 0.136E-01
DAV: 18 -0.383448837665E+03 -0.10453E-01 -0.17630E-03 300 0.160E-01 0.295E-01
DAV: 19 -0.383453698727E+03 -0.48611E-02 -0.26968E-03 324 0.148E-01 0.129E-01
DAV: 20 -0.383462633974E+03 -0.89352E-02 -0.17652E-03 300 0.142E-01 0.299E-01
DAV: 21 -0.383465908311E+03 -0.32743E-02 -0.74684E-04 316 0.733E-02 0.130E-01
DAV: 22 -0.383470902207E+03 -0.49939E-02 -0.52499E-04 332 0.722E-02 0.860E-02
DAV: 23 -0.383474155018E+03 -0.32528E-02 -0.27494E-04 308 0.406E-02 0.656E-02
DAV: 24 -0.383475832548E+03 -0.16775E-02 -0.85750E-05 292 0.195E-02 0.503E-02
DAV: 25 -0.383477509197E+03 -0.16766E-02 -0.10345E-04 300 0.191E-02 0.294E-02
DAV: 26 -0.383478212402E+03 -0.70321E-03 -0.30947E-05 260 0.125E-02 0.160E-02
DAV: 27 -0.383478560827E+03 -0.34843E-03 -0.14475E-05 236 0.102E-02 0.659E-03
DAV: 28 -0.383478746014E+03 -0.18519E-03 -0.10087E-05 204 0.822E-03 0.376E-03
DAV: 29 -0.383478868078E+03 -0.12206E-03 -0.53164E-06 228 0.508E-03 0.760E-03
DAV: 30 -0.383478894573E+03 -0.26495E-04 -0.17803E-06 236 0.339E-03 0.577E-03
DAV: 31 -0.383478933308E+03 -0.38736E-04 -0.13408E-06 212 0.278E-03 0.173E-03
DAV: 32 -0.383478953001E+03 -0.19693E-04 -0.80267E-07 220 0.181E-03 0.126E-03
DAV: 33 -0.383478963723E+03 -0.10722E-04 -0.43736E-07 228 0.183E-03 0.112E-03
DAV: 34 -0.383478974659E+03 -0.10936E-04 -0.38659E-07 204 0.138E-03 0.242E-03
DAV: 35 -0.383478975472E+03 -0.81259E-06 -0.12015E-07 228 0.941E-04
1 F= -.38347898E+03 E0= -.38349214E+03 d E =0.394950E-01