iterations/neb0_image06_iter74_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 0.376284090774E+03 0.37628E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.420232730907E+01 -0.37208E+03 -0.35977E+03 869 0.195E+02
DAV: 3 -0.955857846286E+02 -0.99788E+02 -0.99468E+02 656 0.117E+02
DAV: 4 -0.100147393669E+03 -0.45616E+01 -0.45507E+01 704 0.291E+01
DAV: 5 -0.100241089782E+03 -0.93696E-01 -0.93658E-01 720 0.371E+00 0.227E+01
DAV: 6 -0.915995643089E+02 0.86415E+01 -0.30806E+01 685 0.306E+01 0.118E+01
DAV: 7 -0.907509079367E+02 0.84866E+00 -0.16978E+00 720 0.624E+00 0.481E+00
DAV: 8 -0.903670729586E+02 0.38383E+00 -0.52759E-01 704 0.402E+00 0.166E+00
DAV: 9 -0.902766208277E+02 0.90452E-01 -0.13056E-01 720 0.160E+00 0.424E-01
DAV: 10 -0.902668917892E+02 0.97290E-02 -0.42164E-02 720 0.105E+00 0.305E-01
DAV: 11 -0.902713318942E+02 -0.44401E-02 -0.11538E-02 621 0.679E-01 0.155E-01
DAV: 12 -0.902730225857E+02 -0.16907E-02 -0.27692E-03 642 0.285E-01 0.119E-01
DAV: 13 -0.902774639677E+02 -0.44414E-02 -0.26855E-03 646 0.328E-01 0.839E-02
DAV: 14 -0.902792989793E+02 -0.18350E-02 -0.43745E-04 712 0.143E-01 0.542E-02
DAV: 15 -0.902825683365E+02 -0.32694E-02 -0.10196E-03 629 0.185E-01 0.383E-02
DAV: 16 -0.902841861267E+02 -0.16178E-02 -0.24324E-04 680 0.958E-02 0.226E-02
DAV: 17 -0.902847327931E+02 -0.54667E-03 -0.11231E-04 768 0.633E-02 0.139E-02
DAV: 18 -0.902854269995E+02 -0.69421E-03 -0.13710E-04 668 0.736E-02 0.142E-02
DAV: 19 -0.902855014191E+02 -0.74420E-04 -0.16636E-05 512 0.309E-02 0.114E-02
DAV: 20 -0.902855760328E+02 -0.74614E-04 -0.32286E-05 559 0.350E-02 0.342E-03
DAV: 21 -0.902856245131E+02 -0.48480E-04 -0.69105E-06 469 0.151E-02 0.466E-03
DAV: 22 -0.902856544892E+02 -0.29976E-04 -0.32339E-06 414 0.808E-03 0.464E-03
DAV: 23 -0.902856634684E+02 -0.89792E-05 -0.32256E-06 455 0.149E-02
1 F= -.90285663E+02 E0= -.90293738E+02 d E =0.242247E-01