iterations/neb0_image05_iter4_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 0.363594217581E+03 0.36359E+03 -0.14199E+04 624 0.799E+02
DAV: 2 0.799380986690E+01 -0.35560E+03 -0.34354E+03 861 0.193E+02
DAV: 3 -0.901214147282E+02 -0.98115E+02 -0.97353E+02 709 0.115E+02
DAV: 4 -0.947491890001E+02 -0.46278E+01 -0.46082E+01 704 0.274E+01
DAV: 5 -0.948487056914E+02 -0.99517E-01 -0.99480E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.861927544509E+02 0.86560E+01 -0.32482E+01 665 0.315E+01 0.118E+01
DAV: 7 -0.853840229474E+02 0.80873E+00 -0.26066E+00 720 0.837E+00 0.511E+00
DAV: 8 -0.849650583034E+02 0.41896E+00 -0.75150E-01 704 0.493E+00 0.185E+00
DAV: 9 -0.848953563094E+02 0.69702E-01 -0.19476E-01 712 0.211E+00 0.658E-01
DAV: 10 -0.848792223046E+02 0.16134E-01 -0.62075E-02 709 0.145E+00 0.383E-01
DAV: 11 -0.848783295632E+02 0.89274E-03 -0.10466E-02 650 0.715E-01 0.217E-01
DAV: 12 -0.848812380759E+02 -0.29085E-02 -0.11172E-02 599 0.523E-01 0.156E-01
DAV: 13 -0.848843363965E+02 -0.30983E-02 -0.16549E-03 703 0.252E-01 0.936E-02
DAV: 14 -0.848885562105E+02 -0.42198E-02 -0.32495E-03 643 0.311E-01 0.887E-02
DAV: 15 -0.848899875297E+02 -0.14313E-02 -0.60881E-04 928 0.189E-01 0.368E-02
DAV: 16 -0.848919752898E+02 -0.19878E-02 -0.63322E-04 620 0.132E-01 0.348E-02
DAV: 17 -0.848928975503E+02 -0.92226E-03 -0.61096E-05 685 0.567E-02 0.245E-02
DAV: 18 -0.848937516946E+02 -0.85414E-03 -0.24033E-04 658 0.907E-02 0.150E-02
DAV: 19 -0.848939894646E+02 -0.23777E-03 -0.22412E-05 560 0.323E-02 0.116E-02
DAV: 20 -0.848942005943E+02 -0.21113E-03 -0.63029E-05 601 0.423E-02 0.704E-03
DAV: 21 -0.848942585100E+02 -0.57916E-04 -0.81866E-06 477 0.197E-02 0.382E-03
DAV: 22 -0.848942803716E+02 -0.21862E-04 -0.78180E-06 472 0.131E-02 0.212E-03
DAV: 23 -0.848942926914E+02 -0.12320E-04 -0.22891E-06 428 0.893E-03 0.139E-03
DAV: 24 -0.848942983087E+02 -0.56173E-05 -0.13854E-06 450 0.634E-03
1 F= -.84894298E+02 E0= -.84898209E+02 d E =0.117331E-01