iterations/neb0_image04_iter300_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 0.365589780612E+03 0.36559E+03 -0.14307E+04 624 0.799E+02
DAV: 2 0.645044058227E+00 -0.36494E+03 -0.35308E+03 869 0.195E+02
DAV: 3 -0.960992078212E+02 -0.96744E+02 -0.96440E+02 661 0.115E+02
DAV: 4 -0.100343415754E+03 -0.42442E+01 -0.42357E+01 720 0.278E+01
DAV: 5 -0.100425239174E+03 -0.81823E-01 -0.81795E-01 736 0.346E+00 0.224E+01
DAV: 6 -0.916893158315E+02 0.87359E+01 -0.31518E+01 666 0.300E+01 0.118E+01
DAV: 7 -0.908343593847E+02 0.85496E+00 -0.17923E+00 720 0.650E+00 0.486E+00
DAV: 8 -0.904335691221E+02 0.40079E+00 -0.53443E-01 704 0.450E+00 0.184E+00
DAV: 9 -0.903446607334E+02 0.88908E-01 -0.14952E-01 720 0.232E+00 0.635E-01
DAV: 10 -0.903267244664E+02 0.17936E-01 -0.38173E-02 720 0.105E+00 0.366E-01
DAV: 11 -0.903291872351E+02 -0.24628E-02 -0.21564E-02 656 0.818E-01 0.332E-01
DAV: 12 -0.903304424976E+02 -0.12553E-02 -0.39240E-03 688 0.617E-01 0.158E-01
DAV: 13 -0.903340129821E+02 -0.35705E-02 -0.51110E-03 623 0.465E-01 0.120E-01
DAV: 14 -0.903362312477E+02 -0.22183E-02 -0.11431E-03 653 0.217E-01 0.774E-02
DAV: 15 -0.903401087384E+02 -0.38775E-02 -0.21655E-03 625 0.264E-01 0.673E-02
DAV: 16 -0.903415139255E+02 -0.14052E-02 -0.36958E-04 824 0.168E-01 0.306E-02
DAV: 17 -0.903432381783E+02 -0.17243E-02 -0.52380E-04 646 0.114E-01 0.310E-02
DAV: 18 -0.903439227553E+02 -0.68458E-03 -0.65316E-05 656 0.548E-02 0.235E-02
DAV: 19 -0.903442319010E+02 -0.30915E-03 -0.15105E-04 666 0.740E-02 0.112E-02
DAV: 20 -0.903444336798E+02 -0.20178E-03 -0.38738E-05 558 0.381E-02 0.910E-03
DAV: 21 -0.903444745555E+02 -0.40876E-04 -0.66210E-06 504 0.131E-02 0.681E-03
DAV: 22 -0.903444952567E+02 -0.20701E-04 -0.68254E-06 418 0.162E-02 0.137E-03
DAV: 23 -0.903445026371E+02 -0.73804E-05 -0.36974E-06 482 0.104E-02
1 F= -.90344503E+02 E0= -.90352592E+02 d E =0.242669E-01