./iterations/neb0_image03_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 0.366049150428E+03 0.36605E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.208239699597E+01 -0.36397E+03 -0.35281E+03 861 0.195E+02
DAV: 3 -0.958567678792E+02 -0.97939E+02 -0.97626E+02 680 0.116E+02
DAV: 4 -0.100183183410E+03 -0.43264E+01 -0.43168E+01 696 0.275E+01
DAV: 5 -0.100269374461E+03 -0.86191E-01 -0.86155E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.916902552063E+02 0.85791E+01 -0.30718E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908501770627E+02 0.84008E+00 -0.18194E+00 712 0.645E+00 0.482E+00
DAV: 8 -0.904483435260E+02 0.40183E+00 -0.56578E-01 704 0.442E+00 0.169E+00
DAV: 9 -0.903531946014E+02 0.95149E-01 -0.12949E-01 712 0.194E+00 0.479E-01
DAV: 10 -0.903436924874E+02 0.95021E-02 -0.39006E-02 712 0.978E-01 0.348E-01
DAV: 11 -0.903456837061E+02 -0.19912E-02 -0.78097E-03 712 0.660E-01 0.177E-01
DAV: 12 -0.903477028736E+02 -0.20192E-02 -0.39851E-03 629 0.394E-01 0.118E-01
DAV: 13 -0.903521067025E+02 -0.44038E-02 -0.31757E-03 621 0.288E-01 0.854E-02
DAV: 14 -0.903571791950E+02 -0.50725E-02 -0.13003E-03 644 0.175E-01 0.554E-02
DAV: 15 -0.903586227118E+02 -0.14435E-02 -0.25164E-04 824 0.104E-01 0.240E-02
DAV: 16 -0.903604141567E+02 -0.17914E-02 -0.16997E-04 653 0.640E-02 0.149E-02
DAV: 17 -0.903614794924E+02 -0.10653E-02 -0.81870E-05 624 0.392E-02 0.109E-02
DAV: 18 -0.903619465866E+02 -0.46709E-03 -0.69189E-05 648 0.394E-02 0.734E-03
DAV: 19 -0.903620113063E+02 -0.64720E-04 -0.87423E-06 544 0.248E-02 0.398E-03
DAV: 20 -0.903620896798E+02 -0.78374E-04 -0.16306E-05 420 0.228E-02 0.567E-03
DAV: 21 -0.903621313786E+02 -0.41699E-04 -0.61790E-06 456 0.148E-02 0.349E-03
DAV: 22 -0.903621413869E+02 -0.10008E-04 -0.63017E-06 496 0.166E-02 0.240E-03
DAV: 23 -0.903621444023E+02 -0.30153E-05 -0.14252E-06 453 0.715E-03
1 F= -.90362144E+02 E0= -.90370856E+02 d E =0.261347E-01