iterations/neb0_image03_iter236_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 0.363645988234E+03 0.36365E+03 -0.14327E+04 632 0.799E+02
DAV: 2 -0.255888647057E+00 -0.36390E+03 -0.35432E+03 855 0.195E+02
DAV: 3 -0.960889135175E+02 -0.95833E+02 -0.95527E+02 664 0.115E+02
DAV: 4 -0.100328128362E+03 -0.42392E+01 -0.42287E+01 712 0.277E+01
DAV: 5 -0.100411123625E+03 -0.82995E-01 -0.82965E-01 736 0.349E+00 0.223E+01
DAV: 6 -0.917307783322E+02 0.86803E+01 -0.31223E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908852045764E+02 0.84557E+00 -0.18046E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904904497217E+02 0.39475E+00 -0.56185E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903982048941E+02 0.92245E-01 -0.13276E-01 712 0.168E+00 0.438E-01
DAV: 10 -0.903912421828E+02 0.69627E-02 -0.51301E-02 720 0.126E+00 0.343E-01
DAV: 11 -0.903957814548E+02 -0.45393E-02 -0.10049E-02 680 0.671E-01 0.119E-01
DAV: 12 -0.903988073812E+02 -0.30259E-02 -0.53940E-03 621 0.332E-01 0.127E-01
DAV: 13 -0.904027193376E+02 -0.39120E-02 -0.19592E-03 882 0.334E-01 0.866E-02
DAV: 14 -0.904058581794E+02 -0.31388E-02 -0.11677E-03 664 0.159E-01 0.616E-02
DAV: 15 -0.904079342442E+02 -0.20761E-02 -0.32324E-04 656 0.927E-02 0.340E-02
DAV: 16 -0.904095650907E+02 -0.16308E-02 -0.48581E-04 669 0.117E-01 0.288E-02
DAV: 17 -0.904102515423E+02 -0.68645E-03 -0.14089E-04 784 0.772E-02 0.113E-02
DAV: 18 -0.904105938257E+02 -0.34228E-03 -0.72726E-05 666 0.396E-02 0.921E-03
DAV: 19 -0.904106545074E+02 -0.60682E-04 -0.41520E-06 512 0.142E-02 0.548E-03
DAV: 20 -0.904107384351E+02 -0.83928E-04 -0.32178E-05 554 0.320E-02 0.780E-03
DAV: 21 -0.904107546226E+02 -0.16187E-04 -0.31214E-06 488 0.151E-02 0.489E-03
DAV: 22 -0.904107633707E+02 -0.87482E-05 -0.63503E-06 424 0.144E-02
1 F= -.90410763E+02 E0= -.90417790E+02 d E =0.210801E-01