iterations/neb0_image05_iter94_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 0.373684265448E+03 0.37368E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.306294043106E+01 -0.37062E+03 -0.35830E+03 893 0.195E+02
DAV: 3 -0.942449986163E+02 -0.97308E+02 -0.96966E+02 634 0.116E+02
DAV: 4 -0.987865226553E+02 -0.45415E+01 -0.45306E+01 701 0.295E+01
DAV: 5 -0.988848907027E+02 -0.98368E-01 -0.98320E-01 712 0.384E+00 0.219E+01
DAV: 6 -0.905392328737E+02 0.83457E+01 -0.28602E+01 690 0.287E+01 0.112E+01
DAV: 7 -0.896515472842E+02 0.88769E+00 -0.18064E+00 720 0.672E+00 0.469E+00
DAV: 8 -0.892581430298E+02 0.39340E+00 -0.62927E-01 712 0.453E+00 0.155E+00
DAV: 9 -0.891754456263E+02 0.82697E-01 -0.12311E-01 728 0.167E+00 0.448E-01
DAV: 10 -0.891630224961E+02 0.12423E-01 -0.52494E-02 728 0.124E+00 0.348E-01
DAV: 11 -0.891644077487E+02 -0.13853E-02 -0.11713E-02 632 0.622E-01 0.119E-01
DAV: 12 -0.891663451586E+02 -0.19374E-02 -0.34765E-03 688 0.316E-01 0.128E-01
DAV: 13 -0.891724116175E+02 -0.60665E-02 -0.30355E-03 679 0.387E-01 0.742E-02
DAV: 14 -0.891748104843E+02 -0.23989E-02 -0.84859E-04 688 0.150E-01 0.580E-02
DAV: 15 -0.891777835836E+02 -0.29731E-02 -0.10091E-03 626 0.188E-01 0.362E-02
DAV: 16 -0.891788146538E+02 -0.10311E-02 -0.13701E-04 696 0.685E-02 0.260E-02
DAV: 17 -0.891800629991E+02 -0.12483E-02 -0.23732E-04 633 0.762E-02 0.129E-02
DAV: 18 -0.891803975250E+02 -0.33453E-03 -0.38934E-05 688 0.317E-02 0.100E-02
DAV: 19 -0.891805362034E+02 -0.13868E-03 -0.14553E-05 448 0.242E-02 0.420E-03
DAV: 20 -0.891806536573E+02 -0.11745E-03 -0.31563E-05 532 0.287E-02 0.865E-03
DAV: 21 -0.891806768874E+02 -0.23230E-04 -0.50451E-06 488 0.176E-02 0.432E-03
DAV: 22 -0.891806840486E+02 -0.71612E-05 -0.89486E-06 456 0.163E-02
1 F= -.89180684E+02 E0= -.89184809E+02 d E =0.123743E-01