iterations/neb0_image02_iter236_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 0.366000658147E+03 0.36600E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.328995016025E+00 -0.36567E+03 -0.35519E+03 877 0.195E+02
DAV: 3 -0.956658778807E+02 -0.95995E+02 -0.95664E+02 632 0.115E+02
DAV: 4 -0.100221934763E+03 -0.45561E+01 -0.45455E+01 704 0.294E+01
DAV: 5 -0.100312736484E+03 -0.90802E-01 -0.90768E-01 736 0.373E+00 0.222E+01
DAV: 6 -0.916670298263E+02 0.86457E+01 -0.31000E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908546338641E+02 0.81240E+00 -0.18227E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904744683731E+02 0.38017E+00 -0.55439E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903887893750E+02 0.85679E-01 -0.13591E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903839494614E+02 0.48399E-02 -0.48713E-02 704 0.125E+00 0.328E-01
DAV: 11 -0.903876417787E+02 -0.36923E-02 -0.76981E-03 624 0.587E-01 0.120E-01
DAV: 12 -0.903906949397E+02 -0.30532E-02 -0.65931E-03 632 0.415E-01 0.134E-01
DAV: 13 -0.903933132360E+02 -0.26183E-02 -0.18998E-03 872 0.337E-01 0.814E-02
DAV: 14 -0.903964431507E+02 -0.31299E-02 -0.13324E-03 629 0.172E-01 0.699E-02
DAV: 15 -0.903982154407E+02 -0.17723E-02 -0.31416E-04 688 0.105E-01 0.522E-02
DAV: 16 -0.903996855605E+02 -0.14701E-02 -0.10609E-03 669 0.191E-01 0.413E-02
DAV: 17 -0.904002863134E+02 -0.60075E-03 -0.13690E-04 704 0.831E-02 0.281E-02
DAV: 18 -0.904006186011E+02 -0.33229E-03 -0.10509E-04 664 0.508E-02 0.909E-03
DAV: 19 -0.904007887844E+02 -0.17018E-03 -0.38619E-05 597 0.314E-02 0.763E-03
DAV: 20 -0.904008233896E+02 -0.34605E-04 -0.37409E-06 512 0.134E-02 0.620E-03
DAV: 21 -0.904008790451E+02 -0.55656E-04 -0.15983E-05 452 0.218E-02 0.356E-03
DAV: 22 -0.904008834555E+02 -0.44104E-05 -0.36506E-06 496 0.118E-02
1 F= -.90400883E+02 E0= -.90407611E+02 d E =0.201835E-01