iterations/neb0_image02_iter259_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 0.366482339985E+03 0.36648E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.283062041959E+00 -0.36620E+03 -0.35554E+03 877 0.196E+02
DAV: 3 -0.956531531902E+02 -0.95936E+02 -0.95607E+02 621 0.115E+02
DAV: 4 -0.100268422342E+03 -0.46153E+01 -0.46050E+01 712 0.297E+01
DAV: 5 -0.100360354024E+03 -0.91932E-01 -0.91899E-01 736 0.377E+00 0.223E+01
DAV: 6 -0.916844187304E+02 0.86759E+01 -0.30905E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908553213463E+02 0.82910E+00 -0.18211E+00 720 0.636E+00 0.485E+00
DAV: 8 -0.904741101954E+02 0.38121E+00 -0.55872E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903898085402E+02 0.84302E-01 -0.13418E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903853584863E+02 0.44501E-02 -0.48506E-02 712 0.124E+00 0.328E-01
DAV: 11 -0.903891646647E+02 -0.38062E-02 -0.77598E-03 624 0.602E-01 0.117E-01
DAV: 12 -0.903921937470E+02 -0.30291E-02 -0.64728E-03 632 0.410E-01 0.134E-01
DAV: 13 -0.903948022809E+02 -0.26085E-02 -0.18821E-03 877 0.330E-01 0.808E-02
DAV: 14 -0.903978869335E+02 -0.30847E-02 -0.12943E-03 612 0.169E-01 0.698E-02
DAV: 15 -0.903996703801E+02 -0.17834E-02 -0.29953E-04 688 0.103E-01 0.511E-02
DAV: 16 -0.904011312067E+02 -0.14608E-02 -0.98278E-04 669 0.184E-01 0.393E-02
DAV: 17 -0.904016921719E+02 -0.56097E-03 -0.12883E-04 704 0.832E-02 0.258E-02
DAV: 18 -0.904019916847E+02 -0.29951E-03 -0.97698E-05 666 0.493E-02 0.753E-03
DAV: 19 -0.904021851293E+02 -0.19344E-03 -0.27603E-05 537 0.247E-02 0.517E-03
DAV: 20 -0.904022257056E+02 -0.40576E-04 -0.39283E-06 496 0.118E-02 0.545E-03
DAV: 21 -0.904022748782E+02 -0.49173E-04 -0.10270E-05 412 0.176E-02 0.318E-03
DAV: 22 -0.904022791545E+02 -0.42764E-05 -0.37951E-06 504 0.115E-02
1 F= -.90402279E+02 E0= -.90408944E+02 d E =0.199955E-01