iterations/neb0_image04_iter130_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 0.369527635864E+03 0.36953E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.458072184171E+01 -0.36495E+03 -0.35179E+03 850 0.195E+02
DAV: 3 -0.954748412595E+02 -0.10006E+03 -0.99727E+02 682 0.116E+02
DAV: 4 -0.999513742060E+02 -0.44765E+01 -0.44652E+01 712 0.279E+01
DAV: 5 -0.100038384934E+03 -0.87011E-01 -0.86965E-01 728 0.350E+00 0.222E+01
DAV: 6 -0.914699110086E+02 0.85685E+01 -0.30211E+01 696 0.295E+01 0.116E+01
DAV: 7 -0.906124516868E+02 0.85746E+00 -0.17692E+00 712 0.630E+00 0.480E+00
DAV: 8 -0.902123537273E+02 0.40010E+00 -0.55874E-01 712 0.422E+00 0.164E+00
DAV: 9 -0.901186562179E+02 0.93698E-01 -0.13082E-01 720 0.184E+00 0.439E-01
DAV: 10 -0.901102871545E+02 0.83691E-02 -0.43549E-02 712 0.106E+00 0.334E-01
DAV: 11 -0.901154117507E+02 -0.51246E-02 -0.16970E-02 608 0.855E-01 0.192E-01
DAV: 12 -0.901160812340E+02 -0.66948E-03 -0.49343E-03 656 0.414E-01 0.143E-01
DAV: 13 -0.901203904187E+02 -0.43092E-02 -0.76898E-03 612 0.587E-01 0.116E-01
DAV: 14 -0.901228616030E+02 -0.24712E-02 -0.12188E-03 680 0.217E-01 0.843E-02
DAV: 15 -0.901252159250E+02 -0.23543E-02 -0.75665E-04 655 0.138E-01 0.313E-02
DAV: 16 -0.901276072365E+02 -0.23913E-02 -0.39115E-04 669 0.111E-01 0.361E-02
DAV: 17 -0.901283598946E+02 -0.75266E-03 -0.16300E-04 832 0.137E-01 0.328E-02
DAV: 18 -0.901285626287E+02 -0.20273E-03 -0.21979E-04 701 0.103E-01 0.276E-02
DAV: 19 -0.901285989812E+02 -0.36353E-04 -0.25749E-05 560 0.344E-02 0.240E-02
DAV: 20 -0.901287620872E+02 -0.16311E-03 -0.17408E-04 641 0.112E-01 0.542E-02
DAV: 21 -0.901287619660E+02 0.12112E-06 -0.44252E-05 712 0.330E-02
1 F= -.90128762E+02 E0= -.90134833E+02 d E =0.182135E-01