iterations/neb0_image01_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 0.144703656280E+04 0.14470E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.227778730281E+03 -0.12193E+04 -0.11422E+04 426 0.163E+02
DAV: 3 -0.362818763125E+03 -0.59060E+03 -0.58720E+03 345 0.114E+02
DAV: 4 -0.433474983216E+03 -0.70656E+02 -0.70387E+02 318 0.512E+01
DAV: 5 -0.435060745443E+03 -0.15858E+01 -0.15834E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389089989053E+03 0.45971E+02 -0.14797E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385617058684E+03 0.34729E+01 -0.13409E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384144974351E+03 0.14721E+01 -0.21277E+00 327 0.382E+00 0.431E+00
DAV: 9 -0.383600446222E+03 0.54453E+00 -0.16198E+00 345 0.239E+00 0.132E+00
DAV: 10 -0.383530565150E+03 0.69881E-01 -0.25136E-01 318 0.111E+00 0.103E+00
DAV: 11 -0.383512023955E+03 0.18541E-01 -0.27368E-01 354 0.628E-01 0.100E+00
DAV: 12 -0.383491448153E+03 0.20576E-01 -0.28123E-01 327 0.717E-01 0.942E-01
DAV: 13 -0.383471378682E+03 0.20069E-01 -0.16865E-01 354 0.551E-01 0.664E-01
DAV: 14 -0.383459709387E+03 0.11669E-01 -0.22893E-02 336 0.383E-01 0.390E-01
DAV: 15 -0.383457053784E+03 0.26556E-02 -0.16027E-02 309 0.402E-01 0.256E-01
DAV: 16 -0.383461893710E+03 -0.48399E-02 -0.68033E-03 327 0.242E-01 0.192E-01
DAV: 17 -0.383469731665E+03 -0.78380E-02 -0.25410E-03 291 0.151E-01 0.131E-01
DAV: 18 -0.383479988765E+03 -0.10257E-01 -0.23749E-03 318 0.148E-01 0.810E-02
DAV: 19 -0.383490313481E+03 -0.10325E-01 -0.21775E-03 363 0.161E-01 0.799E-02
DAV: 20 -0.383492794824E+03 -0.24813E-02 -0.99440E-04 318 0.850E-02 0.881E-02
DAV: 21 -0.383492921552E+03 -0.12673E-03 -0.11044E-04 336 0.247E-02 0.892E-02
DAV: 22 -0.383492900975E+03 0.20576E-04 -0.43535E-06 228 0.660E-03 0.920E-02
DAV: 23 -0.383492379957E+03 0.52102E-03 -0.67021E-04 399 0.112E-01 0.105E-01
DAV: 24 -0.383494630763E+03 -0.22508E-02 -0.80367E-04 300 0.689E-02 0.106E-01
DAV: 25 -0.383495638019E+03 -0.10073E-02 -0.31895E-04 372 0.486E-02 0.983E-02
DAV: 26 -0.383498289773E+03 -0.26518E-02 -0.18144E-04 399 0.513E-02 0.801E-02
DAV: 27 -0.383506010124E+03 -0.77204E-02 -0.20395E-03 399 0.145E-01 0.623E-02
DAV: 28 -0.383506296676E+03 -0.28655E-03 -0.10588E-03 318 0.611E-02 0.755E-02
DAV: 29 -0.383506338374E+03 -0.41699E-04 -0.40518E-05 327 0.121E-02 0.813E-02
DAV: 30 -0.383506682521E+03 -0.34415E-03 -0.21106E-05 291 0.137E-02 0.979E-02
DAV: 31 -0.383508335225E+03 -0.16527E-02 -0.10369E-03 354 0.124E-01 0.164E-01
DAV: 32 -0.383508571877E+03 -0.23665E-03 -0.11822E-03 345 0.806E-02 0.163E-01
DAV: 33 -0.383508674139E+03 -0.10226E-03 -0.27013E-04 327 0.330E-02 0.142E-01
DAV: 34 -0.383508678800E+03 -0.46609E-05 -0.43222E-06 228 0.475E-03
1 F= -.38350868E+03 E0= -.38352328E+03 d E =0.438068E-01