iterations/neb0_image04_iter24_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 0.161886366592E+04 0.16189E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.297975024410E+03 -0.13209E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354118474970E+03 -0.65209E+03 -0.64850E+03 356 0.123E+02
DAV: 4 -0.433252886033E+03 -0.79134E+02 -0.78793E+02 316 0.540E+01
DAV: 5 -0.435096875200E+03 -0.18440E+01 -0.18417E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389062270713E+03 0.46035E+02 -0.15048E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385571392674E+03 0.34909E+01 -0.12595E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384143289247E+03 0.14281E+01 -0.26967E+00 332 0.390E+00 0.431E+00
DAV: 9 -0.383566124062E+03 0.57717E+00 -0.61933E-01 324 0.195E+00 0.106E+00
DAV: 10 -0.383524121552E+03 0.42003E-01 -0.47220E-01 340 0.117E+00 0.119E+00
DAV: 11 -0.383494638269E+03 0.29483E-01 -0.17276E-01 316 0.567E-01 0.755E-01
DAV: 12 -0.383486294540E+03 0.83437E-02 -0.59700E-02 324 0.366E-01 0.567E-01
DAV: 13 -0.383471989895E+03 0.14305E-01 -0.10301E-01 340 0.478E-01 0.603E-01
DAV: 14 -0.383463447617E+03 0.85423E-02 -0.58565E-02 316 0.335E-01 0.245E-01
DAV: 15 -0.383465236038E+03 -0.17884E-02 -0.93726E-03 308 0.291E-01 0.210E-01
DAV: 16 -0.383473656150E+03 -0.84201E-02 -0.45596E-03 348 0.216E-01 0.147E-01
DAV: 17 -0.383488284404E+03 -0.14628E-01 -0.61255E-03 300 0.212E-01 0.137E-01
DAV: 18 -0.383490404868E+03 -0.21205E-02 -0.42998E-03 332 0.114E-01 0.909E-02
DAV: 19 -0.383496593938E+03 -0.61891E-02 -0.12617E-03 268 0.757E-02 0.675E-02
DAV: 20 -0.383505109954E+03 -0.85160E-02 -0.11270E-03 308 0.686E-02 0.660E-02
DAV: 21 -0.383511938716E+03 -0.68288E-02 -0.67576E-04 316 0.485E-02 0.355E-02
DAV: 22 -0.383514135926E+03 -0.21972E-02 -0.13686E-04 324 0.269E-02 0.233E-02
DAV: 23 -0.383517748754E+03 -0.36128E-02 -0.15662E-04 300 0.245E-02 0.171E-02
DAV: 24 -0.383519564261E+03 -0.18155E-02 -0.83074E-05 308 0.168E-02 0.103E-02
DAV: 25 -0.383520486449E+03 -0.92219E-03 -0.32085E-05 276 0.110E-02 0.884E-03
DAV: 26 -0.383521262995E+03 -0.77655E-03 -0.44709E-05 276 0.128E-02 0.608E-03
DAV: 27 -0.383521383361E+03 -0.12037E-03 -0.41119E-06 244 0.512E-03 0.510E-03
DAV: 28 -0.383521563195E+03 -0.17983E-03 -0.73380E-06 204 0.589E-03 0.255E-03
DAV: 29 -0.383521623386E+03 -0.60191E-04 -0.28395E-06 228 0.365E-03 0.179E-03
DAV: 30 -0.383521661943E+03 -0.38556E-04 -0.11163E-06 204 0.236E-03 0.113E-03
DAV: 31 -0.383521699314E+03 -0.37371E-04 -0.14617E-06 212 0.241E-03 0.109E-03
DAV: 32 -0.383521711824E+03 -0.12510E-04 -0.42243E-07 228 0.144E-03 0.754E-04
DAV: 33 -0.383521722571E+03 -0.10748E-04 -0.44844E-07 212 0.134E-03 0.473E-04
DAV: 34 -0.383521724970E+03 -0.23982E-05 -0.11672E-07 228 0.775E-04
1 F= -.38352172E+03 E0= -.38353897E+03 d E =0.517480E-01