./iterations/neb0_image03_iter235_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 0.363636978283E+03 0.36364E+03 -0.14327E+04 632 0.799E+02
DAV: 2 -0.259817624780E+00 -0.36390E+03 -0.35432E+03 858 0.195E+02
DAV: 3 -0.960952283568E+02 -0.95835E+02 -0.95531E+02 664 0.115E+02
DAV: 4 -0.100328583770E+03 -0.42334E+01 -0.42231E+01 712 0.277E+01
DAV: 5 -0.100411330684E+03 -0.82747E-01 -0.82717E-01 736 0.348E+00 0.223E+01
DAV: 6 -0.917310086855E+02 0.86803E+01 -0.31224E+01 669 0.299E+01 0.117E+01
DAV: 7 -0.908849727570E+02 0.84604E+00 -0.18046E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904901740655E+02 0.39480E+00 -0.56274E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903980580411E+02 0.92116E-01 -0.13263E-01 712 0.168E+00 0.438E-01
DAV: 10 -0.903911236267E+02 0.69344E-02 -0.51146E-02 728 0.126E+00 0.343E-01
DAV: 11 -0.903956339611E+02 -0.45103E-02 -0.99704E-03 680 0.669E-01 0.119E-01
DAV: 12 -0.903986765970E+02 -0.30426E-02 -0.54122E-03 621 0.333E-01 0.127E-01
DAV: 13 -0.904025968352E+02 -0.39202E-02 -0.19606E-03 890 0.334E-01 0.867E-02
DAV: 14 -0.904057271058E+02 -0.31303E-02 -0.11689E-03 664 0.159E-01 0.616E-02
DAV: 15 -0.904077947762E+02 -0.20677E-02 -0.31930E-04 656 0.919E-02 0.341E-02
DAV: 16 -0.904094241727E+02 -0.16294E-02 -0.48125E-04 669 0.116E-01 0.286E-02
DAV: 17 -0.904101126639E+02 -0.68849E-03 -0.14068E-04 800 0.768E-02 0.113E-02
DAV: 18 -0.904104561195E+02 -0.34346E-03 -0.71952E-05 661 0.395E-02 0.924E-03
DAV: 19 -0.904105189150E+02 -0.62795E-04 -0.43801E-06 512 0.144E-02 0.544E-03
DAV: 20 -0.904106012971E+02 -0.82382E-04 -0.31514E-05 554 0.316E-02 0.769E-03
DAV: 21 -0.904106185762E+02 -0.17279E-04 -0.31086E-06 488 0.148E-02 0.485E-03
DAV: 22 -0.904106270612E+02 -0.84850E-05 -0.60499E-06 424 0.140E-02
1 F= -.90410627E+02 E0= -.90417625E+02 d E =0.209945E-01