./iterations/neb0_image03_iter113_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 0.366928341103E+03 0.36693E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.279780531032E+01 -0.36413E+03 -0.35167E+03 853 0.195E+02
DAV: 3 -0.957010645539E+02 -0.98499E+02 -0.98185E+02 664 0.116E+02
DAV: 4 -0.100192201025E+03 -0.44911E+01 -0.44815E+01 704 0.286E+01
DAV: 5 -0.100280595964E+03 -0.88395E-01 -0.88360E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916832396974E+02 0.85974E+01 -0.30637E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908365315212E+02 0.84671E+00 -0.18332E+00 712 0.640E+00 0.483E+00
DAV: 8 -0.904325956151E+02 0.40394E+00 -0.56797E-01 696 0.434E+00 0.166E+00
DAV: 9 -0.903375630957E+02 0.95033E-01 -0.13057E-01 696 0.185E+00 0.455E-01
DAV: 10 -0.903291259625E+02 0.84371E-02 -0.38091E-02 720 0.989E-01 0.334E-01
DAV: 11 -0.903318499504E+02 -0.27240E-02 -0.79009E-03 736 0.629E-01 0.148E-01
DAV: 12 -0.903337227001E+02 -0.18727E-02 -0.32515E-03 634 0.351E-01 0.113E-01
DAV: 13 -0.903384895817E+02 -0.47669E-02 -0.31838E-03 632 0.310E-01 0.851E-02
DAV: 14 -0.903427588047E+02 -0.42692E-02 -0.10224E-03 658 0.175E-01 0.447E-02
DAV: 15 -0.903447161264E+02 -0.19573E-02 -0.36645E-04 744 0.106E-01 0.244E-02
DAV: 16 -0.903463244411E+02 -0.16083E-02 -0.12990E-04 661 0.594E-02 0.120E-02
DAV: 17 -0.903473673454E+02 -0.10429E-02 -0.10973E-04 608 0.388E-02 0.697E-03
DAV: 18 -0.903476408560E+02 -0.27351E-03 -0.25045E-05 560 0.206E-02 0.404E-03
DAV: 19 -0.903477524767E+02 -0.11162E-03 -0.84499E-06 442 0.121E-02 0.172E-03
DAV: 20 -0.903477995031E+02 -0.47026E-04 -0.65287E-06 464 0.805E-03 0.154E-03
DAV: 21 -0.903478116368E+02 -0.12134E-04 -0.16892E-06 472 0.603E-03 0.837E-04
DAV: 22 -0.903478161568E+02 -0.45200E-05 -0.98323E-07 423 0.401E-03
1 F= -.90347816E+02 E0= -.90356373E+02 d E =0.256696E-01