iterations/neb0_image06_iter90_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.375342209924E+03 0.37534E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.361340285908E+01 -0.37173E+03 -0.35957E+03 877 0.195E+02
DAV: 3 -0.956005294333E+02 -0.99214E+02 -0.98890E+02 656 0.117E+02
DAV: 4 -0.100170646950E+03 -0.45701E+01 -0.45593E+01 696 0.289E+01
DAV: 5 -0.100264587333E+03 -0.93940E-01 -0.93899E-01 744 0.368E+00 0.226E+01
DAV: 6 -0.916384892442E+02 0.86261E+01 -0.30954E+01 706 0.307E+01 0.118E+01
DAV: 7 -0.908147944157E+02 0.82369E+00 -0.17290E+00 720 0.630E+00 0.481E+00
DAV: 8 -0.904359236018E+02 0.37887E+00 -0.51650E-01 712 0.399E+00 0.168E+00
DAV: 9 -0.903432169520E+02 0.92707E-01 -0.13431E-01 720 0.165E+00 0.422E-01
DAV: 10 -0.903337763762E+02 0.94406E-02 -0.39841E-02 736 0.102E+00 0.297E-01
DAV: 11 -0.903381896994E+02 -0.44133E-02 -0.12257E-02 624 0.672E-01 0.162E-01
DAV: 12 -0.903398043316E+02 -0.16146E-02 -0.23004E-03 666 0.277E-01 0.115E-01
DAV: 13 -0.903444247399E+02 -0.46204E-02 -0.29538E-03 651 0.346E-01 0.824E-02
DAV: 14 -0.903461482948E+02 -0.17236E-02 -0.46958E-04 784 0.142E-01 0.527E-02
DAV: 15 -0.903491525293E+02 -0.30042E-02 -0.88775E-04 666 0.175E-01 0.354E-02
DAV: 16 -0.903507705495E+02 -0.16180E-02 -0.20328E-04 701 0.861E-02 0.252E-02
DAV: 17 -0.903513094912E+02 -0.53894E-03 -0.11212E-04 768 0.674E-02 0.150E-02
DAV: 18 -0.903521326493E+02 -0.82316E-03 -0.19421E-04 657 0.881E-02 0.185E-02
DAV: 19 -0.903522088021E+02 -0.76153E-04 -0.27345E-05 568 0.431E-02 0.113E-02
DAV: 20 -0.903522996089E+02 -0.90807E-04 -0.37294E-05 626 0.353E-02 0.448E-03
DAV: 21 -0.903523484562E+02 -0.48847E-04 -0.41777E-06 477 0.118E-02 0.431E-03
DAV: 22 -0.903523856946E+02 -0.37238E-04 -0.39548E-06 419 0.828E-03 0.298E-03
DAV: 23 -0.903523939755E+02 -0.82809E-05 -0.31956E-06 485 0.113E-02
1 F= -.90352394E+02 E0= -.90359948E+02 d E =0.226608E-01