iterations/neb0_image05_iter297_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 0.368289405097E+03 0.36829E+03 -0.14312E+04 624 0.799E+02
DAV: 2 0.484453384834E+01 -0.36344E+03 -0.34964E+03 837 0.196E+02
DAV: 3 -0.952651936227E+02 -0.10011E+03 -0.99764E+02 648 0.117E+02
DAV: 4 -0.100129678725E+03 -0.48645E+01 -0.48523E+01 712 0.300E+01
DAV: 5 -0.100226685209E+03 -0.97006E-01 -0.96965E-01 736 0.379E+00 0.222E+01
DAV: 6 -0.915622330911E+02 0.86645E+01 -0.31183E+01 696 0.301E+01 0.117E+01
DAV: 7 -0.907455000601E+02 0.81673E+00 -0.17921E+00 712 0.649E+00 0.484E+00
DAV: 8 -0.903655862878E+02 0.37991E+00 -0.51756E-01 720 0.432E+00 0.178E+00
DAV: 9 -0.902788321124E+02 0.86754E-01 -0.13667E-01 720 0.202E+00 0.565E-01
DAV: 10 -0.902669343608E+02 0.11898E-01 -0.25182E-02 728 0.922E-01 0.330E-01
DAV: 11 -0.902677187551E+02 -0.78439E-03 -0.16889E-02 704 0.696E-01 0.218E-01
DAV: 12 -0.902709719612E+02 -0.32532E-02 -0.51639E-03 656 0.433E-01 0.113E-01
DAV: 13 -0.902736643288E+02 -0.26924E-02 -0.15582E-03 636 0.224E-01 0.108E-01
DAV: 14 -0.902772210734E+02 -0.35567E-02 -0.17588E-03 734 0.275E-01 0.500E-02
DAV: 15 -0.902800339938E+02 -0.28129E-02 -0.57017E-04 650 0.119E-01 0.417E-02
DAV: 16 -0.902828388122E+02 -0.28048E-02 -0.57962E-04 701 0.138E-01 0.238E-02
DAV: 17 -0.902837808520E+02 -0.94204E-03 -0.11560E-04 696 0.560E-02 0.202E-02
DAV: 18 -0.902844105678E+02 -0.62972E-03 -0.12278E-04 644 0.637E-02 0.815E-03
DAV: 19 -0.902846372513E+02 -0.22668E-03 -0.33339E-05 688 0.281E-02 0.803E-03
DAV: 20 -0.902847171038E+02 -0.79853E-04 -0.78022E-06 477 0.152E-02 0.409E-03
DAV: 21 -0.902847637365E+02 -0.46633E-04 -0.15638E-05 489 0.219E-02 0.432E-03
DAV: 22 -0.902847717794E+02 -0.80429E-05 -0.22013E-06 464 0.111E-02
1 F= -.90284772E+02 E0= -.90293016E+02 d E =0.247339E-01