./iterations/neb0_image01_iter153_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 0.365906162937E+03 0.36591E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.321352169524E+01 -0.36269E+03 -0.34980E+03 839 0.196E+02
DAV: 3 -0.955888380935E+02 -0.98802E+02 -0.98454E+02 666 0.116E+02
DAV: 4 -0.100218498818E+03 -0.46297E+01 -0.46185E+01 704 0.287E+01
DAV: 5 -0.100311009657E+03 -0.92511E-01 -0.92465E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916817334993E+02 0.86293E+01 -0.31016E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908776941612E+02 0.80404E+00 -0.18293E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.905022365197E+02 0.37546E+00 -0.55376E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904204632538E+02 0.81773E-01 -0.13248E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904159101615E+02 0.45531E-02 -0.47523E-02 712 0.125E+00 0.323E-01
DAV: 11 -0.904200173186E+02 -0.41072E-02 -0.81842E-03 608 0.584E-01 0.120E-01
DAV: 12 -0.904232878898E+02 -0.32706E-02 -0.62725E-03 632 0.433E-01 0.128E-01
DAV: 13 -0.904257986508E+02 -0.25108E-02 -0.14273E-03 853 0.295E-01 0.768E-02
DAV: 14 -0.904290149906E+02 -0.32163E-02 -0.15970E-03 642 0.207E-01 0.711E-02
DAV: 15 -0.904305688278E+02 -0.15538E-02 -0.30880E-04 720 0.120E-01 0.553E-02
DAV: 16 -0.904318735577E+02 -0.13047E-02 -0.10943E-03 661 0.203E-01 0.387E-02
DAV: 17 -0.904327474578E+02 -0.87390E-03 -0.15812E-04 722 0.849E-02 0.316E-02
DAV: 18 -0.904330337475E+02 -0.28629E-03 -0.50286E-05 688 0.350E-02 0.218E-02
DAV: 19 -0.904332728044E+02 -0.23906E-03 -0.11382E-04 633 0.636E-02 0.860E-03
DAV: 20 -0.904332955615E+02 -0.22757E-04 -0.15431E-05 536 0.249E-02 0.901E-03
DAV: 21 -0.904333361889E+02 -0.40627E-04 -0.88799E-06 407 0.179E-02 0.784E-03
DAV: 22 -0.904333556053E+02 -0.19416E-04 -0.42179E-06 477 0.168E-02 0.463E-03
DAV: 23 -0.904333607250E+02 -0.51196E-05 -0.99057E-06 472 0.175E-02
1 F= -.90433361E+02 E0= -.90439236E+02 d E =0.176273E-01