./iterations/neb0_image04_iter233_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 0.367532781267E+03 0.36753E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.181575207218E+01 -0.36572E+03 -0.35425E+03 861 0.195E+02
DAV: 3 -0.960564787262E+02 -0.97872E+02 -0.97581E+02 669 0.116E+02
DAV: 4 -0.100289930816E+03 -0.42335E+01 -0.42246E+01 704 0.275E+01
DAV: 5 -0.100373300328E+03 -0.83370E-01 -0.83336E-01 744 0.344E+00 0.223E+01
DAV: 6 -0.916760311113E+02 0.86973E+01 -0.31195E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908164550810E+02 0.85958E+00 -0.17923E+00 712 0.658E+00 0.485E+00
DAV: 8 -0.904031883778E+02 0.41327E+00 -0.54942E-01 704 0.451E+00 0.176E+00
DAV: 9 -0.903110987798E+02 0.92090E-01 -0.16180E-01 720 0.199E+00 0.548E-01
DAV: 10 -0.902981820432E+02 0.12917E-01 -0.35500E-02 712 0.101E+00 0.345E-01
DAV: 11 -0.902996971449E+02 -0.15151E-02 -0.10687E-02 709 0.539E-01 0.197E-01
DAV: 12 -0.903034711457E+02 -0.37740E-02 -0.48341E-03 618 0.389E-01 0.114E-01
DAV: 13 -0.903069347390E+02 -0.34636E-02 -0.11030E-03 689 0.217E-01 0.768E-02
DAV: 14 -0.903104088822E+02 -0.34741E-02 -0.16575E-03 695 0.231E-01 0.645E-02
DAV: 15 -0.903118420382E+02 -0.14332E-02 -0.27850E-04 880 0.144E-01 0.357E-02
DAV: 16 -0.903145871845E+02 -0.27451E-02 -0.81604E-04 745 0.167E-01 0.395E-02
DAV: 17 -0.903150812764E+02 -0.49409E-03 -0.10226E-04 840 0.802E-02 0.226E-02
DAV: 18 -0.903158391350E+02 -0.75786E-03 -0.23373E-04 713 0.899E-02 0.162E-02
DAV: 19 -0.903162343769E+02 -0.39524E-03 -0.52693E-05 666 0.423E-02 0.112E-02
DAV: 20 -0.903163315013E+02 -0.97124E-04 -0.20246E-05 560 0.242E-02 0.417E-03
DAV: 21 -0.903164240018E+02 -0.92501E-04 -0.15290E-05 449 0.204E-02 0.293E-03
DAV: 22 -0.903164482842E+02 -0.24282E-04 -0.31704E-06 488 0.899E-03 0.278E-03
DAV: 23 -0.903164520593E+02 -0.37751E-05 -0.10297E-06 525 0.651E-03
1 F= -.90316452E+02 E0= -.90324679E+02 d E =0.246812E-01