./iterations/neb0_image04_iter135_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 0.369693135025E+03 0.36969E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.446751893185E+01 -0.36523E+03 -0.35195E+03 850 0.195E+02
DAV: 3 -0.955323505404E+02 -0.10000E+03 -0.99673E+02 685 0.116E+02
DAV: 4 -0.999831301250E+02 -0.44508E+01 -0.44398E+01 712 0.279E+01
DAV: 5 -0.100069490514E+03 -0.86360E-01 -0.86318E-01 736 0.349E+00 0.223E+01
DAV: 6 -0.914818827350E+02 0.85876E+01 -0.30243E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.906233004937E+02 0.85858E+00 -0.17765E+00 704 0.630E+00 0.481E+00
DAV: 8 -0.902231315860E+02 0.40017E+00 -0.55753E-01 720 0.424E+00 0.165E+00
DAV: 9 -0.901291961317E+02 0.93935E-01 -0.13227E-01 712 0.184E+00 0.439E-01
DAV: 10 -0.901207723348E+02 0.84238E-02 -0.44045E-02 712 0.108E+00 0.334E-01
DAV: 11 -0.901258326017E+02 -0.50603E-02 -0.15502E-02 608 0.817E-01 0.178E-01
DAV: 12 -0.901267245571E+02 -0.89196E-03 -0.45880E-03 650 0.386E-01 0.139E-01
DAV: 13 -0.901312231327E+02 -0.44986E-02 -0.72389E-03 618 0.585E-01 0.116E-01
DAV: 14 -0.901335552513E+02 -0.23321E-02 -0.12399E-03 688 0.221E-01 0.868E-02
DAV: 15 -0.901356928398E+02 -0.21376E-02 -0.74817E-04 644 0.137E-01 0.333E-02
DAV: 16 -0.901380278582E+02 -0.23350E-02 -0.43061E-04 661 0.110E-01 0.357E-02
DAV: 17 -0.901387367376E+02 -0.70888E-03 -0.10576E-04 792 0.115E-01 0.347E-02
DAV: 18 -0.901390079353E+02 -0.27120E-03 -0.20567E-04 671 0.107E-01 0.272E-02
DAV: 19 -0.901390738032E+02 -0.65868E-04 -0.33414E-05 656 0.391E-02 0.252E-02
DAV: 20 -0.901392414801E+02 -0.16768E-03 -0.20900E-04 654 0.113E-01 0.590E-02
DAV: 21 -0.901392182323E+02 0.23248E-04 -0.27023E-05 564 0.580E-02 0.545E-02
DAV: 22 -0.901392255340E+02 -0.73017E-05 -0.81261E-06 488 0.161E-02
1 F= -.90139226E+02 E0= -.90145803E+02 d E =0.197313E-01