iterations/neb0_image01_iter73_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 0.144705275414E+04 0.14471E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.224069927871E+03 -0.12230E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363076049950E+03 -0.58715E+03 -0.58369E+03 345 0.114E+02
DAV: 4 -0.433488547931E+03 -0.70412E+02 -0.70140E+02 318 0.508E+01
DAV: 5 -0.435062503127E+03 -0.15740E+01 -0.15714E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389090637634E+03 0.45972E+02 -0.14814E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385626703576E+03 0.34639E+01 -0.13618E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384150199534E+03 0.14765E+01 -0.21591E+00 336 0.385E+00 0.435E+00
DAV: 9 -0.383616122971E+03 0.53408E+00 -0.18979E+00 336 0.246E+00 0.142E+00
DAV: 10 -0.383533942591E+03 0.82180E-01 -0.22540E-01 318 0.115E+00 0.102E+00
DAV: 11 -0.383512685264E+03 0.21257E-01 -0.25736E-01 354 0.678E-01 0.112E+00
DAV: 12 -0.383494420925E+03 0.18264E-01 -0.34761E-01 327 0.716E-01 0.116E+00
DAV: 13 -0.383472443819E+03 0.21977E-01 -0.26046E-01 372 0.591E-01 0.764E-01
DAV: 14 -0.383460033305E+03 0.12411E-01 -0.21127E-02 345 0.397E-01 0.490E-01
DAV: 15 -0.383460768197E+03 -0.73489E-03 -0.93990E-03 318 0.268E-01 0.624E-01
DAV: 16 -0.383455542506E+03 0.52257E-02 -0.12843E-02 300 0.357E-01 0.252E-01
DAV: 17 -0.383461807824E+03 -0.62653E-02 -0.76499E-03 327 0.239E-01 0.159E-01
DAV: 18 -0.383471187257E+03 -0.93794E-02 -0.25494E-03 291 0.158E-01 0.200E-01
DAV: 19 -0.383483708556E+03 -0.12521E-01 -0.32504E-03 309 0.191E-01 0.139E-01
DAV: 20 -0.383487724852E+03 -0.40163E-02 -0.11297E-03 318 0.942E-02 0.117E-01
DAV: 21 -0.383492457677E+03 -0.47328E-02 -0.30855E-04 300 0.412E-02 0.880E-02
DAV: 22 -0.383498780438E+03 -0.63228E-02 -0.34181E-04 318 0.517E-02 0.359E-02
DAV: 23 -0.383502823071E+03 -0.40426E-02 -0.28625E-04 336 0.413E-02 0.383E-02
DAV: 24 -0.383505154643E+03 -0.23316E-02 -0.83383E-05 291 0.217E-02 0.210E-02
DAV: 25 -0.383506003748E+03 -0.84910E-03 -0.27014E-05 300 0.118E-02 0.164E-02
DAV: 26 -0.383508075150E+03 -0.20714E-02 -0.13041E-04 282 0.184E-02 0.145E-02
DAV: 27 -0.383508409217E+03 -0.33407E-03 -0.10607E-05 237 0.782E-03 0.760E-03
DAV: 28 -0.383508715576E+03 -0.30636E-03 -0.13839E-05 237 0.725E-03 0.706E-03
DAV: 29 -0.383508884421E+03 -0.16884E-03 -0.46325E-06 228 0.470E-03 0.390E-03
DAV: 30 -0.383508976027E+03 -0.91606E-04 -0.30625E-06 228 0.342E-03 0.302E-03
DAV: 31 -0.383509019880E+03 -0.43854E-04 -0.15358E-06 201 0.258E-03 0.153E-03
DAV: 32 -0.383509054266E+03 -0.34385E-04 -0.14347E-06 201 0.248E-03 0.125E-03
DAV: 33 -0.383509062877E+03 -0.86112E-05 -0.52400E-07 228 0.142E-03
1 F= -.38350906E+03 E0= -.38352558E+03 d E =0.495637E-01