iterations/neb0_image04_iter177_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 0.363426769461E+03 0.36343E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.955984143076E+00 -0.36247E+03 -0.34957E+03 863 0.193E+02
DAV: 3 -0.960325828856E+02 -0.96989E+02 -0.96692E+02 666 0.115E+02
DAV: 4 -0.100244974489E+03 -0.42124E+01 -0.42025E+01 696 0.277E+01
DAV: 5 -0.100324503506E+03 -0.79529E-01 -0.79494E-01 736 0.346E+00 0.223E+01
DAV: 6 -0.916225891970E+02 0.87019E+01 -0.31025E+01 703 0.297E+01 0.116E+01
DAV: 7 -0.907592146223E+02 0.86337E+00 -0.17778E+00 696 0.630E+00 0.483E+00
DAV: 8 -0.903500746118E+02 0.40914E+00 -0.57201E-01 704 0.434E+00 0.166E+00
DAV: 9 -0.902571775716E+02 0.92897E-01 -0.12374E-01 712 0.197E+00 0.491E-01
DAV: 10 -0.902469718520E+02 0.10206E-01 -0.33820E-02 720 0.934E-01 0.349E-01
DAV: 11 -0.902491471789E+02 -0.21753E-02 -0.11751E-02 680 0.772E-01 0.261E-01
DAV: 12 -0.902504615879E+02 -0.13144E-02 -0.39939E-03 752 0.602E-01 0.119E-01
DAV: 13 -0.902548889788E+02 -0.44274E-02 -0.32362E-03 620 0.316E-01 0.979E-02
DAV: 14 -0.902582133877E+02 -0.33244E-02 -0.73829E-04 640 0.158E-01 0.475E-02
DAV: 15 -0.902616139046E+02 -0.34005E-02 -0.79118E-04 666 0.146E-01 0.334E-02
DAV: 16 -0.902633303770E+02 -0.17165E-02 -0.18209E-04 696 0.103E-01 0.186E-02
DAV: 17 -0.902647572627E+02 -0.14269E-02 -0.25959E-04 649 0.735E-02 0.227E-02
DAV: 18 -0.902650184690E+02 -0.26121E-03 -0.57410E-05 720 0.616E-02 0.100E-02
DAV: 19 -0.902653299009E+02 -0.31143E-03 -0.95898E-05 638 0.511E-02 0.171E-02
DAV: 20 -0.902653522564E+02 -0.22355E-04 -0.48212E-06 536 0.222E-02 0.123E-02
DAV: 21 -0.902654241075E+02 -0.71851E-04 -0.56532E-05 601 0.467E-02 0.748E-03
DAV: 22 -0.902654491049E+02 -0.24997E-04 -0.57048E-06 469 0.182E-02 0.561E-03
DAV: 23 -0.902654554795E+02 -0.63747E-05 -0.21930E-06 528 0.728E-03
1 F= -.90265455E+02 E0= -.90274008E+02 d E =0.256562E-01