iterations/neb0_image01_iter291_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 0.363485542156E+03 0.36349E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.313130568572E+01 -0.36035E+03 -0.34806E+03 828 0.195E+02
DAV: 3 -0.955911268354E+02 -0.98722E+02 -0.98383E+02 653 0.116E+02
DAV: 4 -0.100256786881E+03 -0.46657E+01 -0.46530E+01 704 0.291E+01
DAV: 5 -0.100345739513E+03 -0.88953E-01 -0.88911E-01 728 0.367E+00 0.223E+01
DAV: 6 -0.917100304794E+02 0.86357E+01 -0.30918E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908929620270E+02 0.81707E+00 -0.18513E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.905129332320E+02 0.38003E+00 -0.55436E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.904268024200E+02 0.86131E-01 -0.13650E-01 712 0.165E+00 0.428E-01
DAV: 10 -0.904214516182E+02 0.53508E-02 -0.46515E-02 701 0.126E+00 0.319E-01
DAV: 11 -0.904251544988E+02 -0.37029E-02 -0.68020E-03 608 0.498E-01 0.141E-01
DAV: 12 -0.904286860683E+02 -0.35316E-02 -0.75805E-03 620 0.498E-01 0.135E-01
DAV: 13 -0.904312624841E+02 -0.25764E-02 -0.17973E-03 888 0.334E-01 0.764E-02
DAV: 14 -0.904343944692E+02 -0.31320E-02 -0.13339E-03 639 0.171E-01 0.599E-02
DAV: 15 -0.904364198953E+02 -0.20254E-02 -0.34916E-04 680 0.107E-01 0.462E-02
DAV: 16 -0.904380395490E+02 -0.16197E-02 -0.91587E-04 650 0.178E-01 0.388E-02
DAV: 17 -0.904387420406E+02 -0.70249E-03 -0.15466E-04 760 0.906E-02 0.249E-02
DAV: 18 -0.904389549271E+02 -0.21289E-03 -0.84064E-05 672 0.449E-02 0.998E-03
DAV: 19 -0.904391408880E+02 -0.18596E-03 -0.36439E-05 543 0.297E-02 0.498E-03
DAV: 20 -0.904391709373E+02 -0.30049E-04 -0.49292E-06 488 0.154E-02 0.664E-03
DAV: 21 -0.904392090633E+02 -0.38126E-04 -0.68967E-06 431 0.153E-02 0.530E-03
DAV: 22 -0.904392232644E+02 -0.14201E-04 -0.40395E-06 480 0.139E-02 0.253E-03
DAV: 23 -0.904392252179E+02 -0.19536E-05 -0.36429E-06 536 0.112E-02
1 F= -.90439225E+02 E0= -.90444669E+02 d E =0.163315E-01