./iterations/neb0_image04_iter169_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 0.363820575904E+03 0.36382E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.678572915859E+00 -0.36314E+03 -0.35021E+03 874 0.194E+02
DAV: 3 -0.960408917203E+02 -0.96719E+02 -0.96418E+02 666 0.115E+02
DAV: 4 -0.100252087768E+03 -0.42112E+01 -0.42017E+01 696 0.277E+01
DAV: 5 -0.100331951789E+03 -0.79864E-01 -0.79829E-01 736 0.346E+00 0.223E+01
DAV: 6 -0.916159445172E+02 0.87160E+01 -0.30989E+01 690 0.297E+01 0.117E+01
DAV: 7 -0.907473721209E+02 0.86857E+00 -0.17869E+00 704 0.629E+00 0.484E+00
DAV: 8 -0.903354552929E+02 0.41192E+00 -0.57533E-01 704 0.430E+00 0.162E+00
DAV: 9 -0.902405155300E+02 0.94940E-01 -0.13163E-01 712 0.169E+00 0.441E-01
DAV: 10 -0.902314260509E+02 0.90895E-02 -0.48056E-02 720 0.114E+00 0.341E-01
DAV: 11 -0.902361006576E+02 -0.46746E-02 -0.94139E-03 688 0.650E-01 0.134E-01
DAV: 12 -0.902380796119E+02 -0.19790E-02 -0.36202E-03 640 0.337E-01 0.105E-01
DAV: 13 -0.902420101699E+02 -0.39306E-02 -0.12920E-03 620 0.182E-01 0.812E-02
DAV: 14 -0.902459947318E+02 -0.39846E-02 -0.12664E-03 653 0.157E-01 0.422E-02
DAV: 15 -0.902480385034E+02 -0.20438E-02 -0.21726E-04 736 0.953E-02 0.321E-02
DAV: 16 -0.902497312629E+02 -0.16928E-02 -0.36936E-04 655 0.104E-01 0.240E-02
DAV: 17 -0.902504484800E+02 -0.71722E-03 -0.81034E-05 736 0.678E-02 0.114E-02
DAV: 18 -0.902510811760E+02 -0.63270E-03 -0.10175E-04 652 0.428E-02 0.910E-03
DAV: 19 -0.902511996339E+02 -0.11846E-03 -0.88528E-06 480 0.201E-02 0.484E-03
DAV: 20 -0.902513080190E+02 -0.10839E-03 -0.29845E-05 548 0.288E-02 0.688E-03
DAV: 21 -0.902513337380E+02 -0.25719E-04 -0.47210E-06 488 0.211E-02 0.240E-03
DAV: 22 -0.902513462543E+02 -0.12516E-04 -0.46710E-06 424 0.101E-02 0.146E-03
DAV: 23 -0.902513527313E+02 -0.64770E-05 -0.10059E-06 458 0.457E-03
1 F= -.90251353E+02 E0= -.90260064E+02 d E =0.261335E-01