./iterations/neb0_image03_iter168_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 0.364142418907E+03 0.36414E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.800676167187E-01 -0.36406E+03 -0.35384E+03 869 0.195E+02
DAV: 3 -0.961690612650E+02 -0.96249E+02 -0.95947E+02 677 0.115E+02
DAV: 4 -0.100248601956E+03 -0.40795E+01 -0.40695E+01 712 0.270E+01
DAV: 5 -0.100328866657E+03 -0.80265E-01 -0.80232E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917140974273E+02 0.86148E+01 -0.30949E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908759509641E+02 0.83815E+00 -0.18331E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904786808063E+02 0.39727E+00 -0.54949E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903794850292E+02 0.99196E-01 -0.12624E-01 712 0.207E+00 0.453E-01
DAV: 10 -0.903711071982E+02 0.83778E-02 -0.57908E-02 720 0.137E+00 0.372E-01
DAV: 11 -0.903748207573E+02 -0.37136E-02 -0.16661E-02 605 0.821E-01 0.164E-01
DAV: 12 -0.903757245723E+02 -0.90381E-03 -0.66949E-03 645 0.492E-01 0.152E-01
DAV: 13 -0.903790364386E+02 -0.33119E-02 -0.85887E-03 701 0.686E-01 0.113E-01
DAV: 14 -0.903823999982E+02 -0.33636E-02 -0.20759E-03 656 0.289E-01 0.853E-02
DAV: 15 -0.903845402430E+02 -0.21402E-02 -0.66364E-04 669 0.133E-01 0.405E-02
DAV: 16 -0.903864743152E+02 -0.19341E-02 -0.57248E-04 672 0.126E-01 0.253E-02
DAV: 17 -0.903875679518E+02 -0.10936E-02 -0.10520E-04 656 0.750E-02 0.152E-02
DAV: 18 -0.903882475513E+02 -0.67960E-03 -0.17287E-04 653 0.639E-02 0.116E-02
DAV: 19 -0.903883492298E+02 -0.10168E-03 -0.22938E-05 592 0.412E-02 0.413E-03
DAV: 20 -0.903884558191E+02 -0.10659E-03 -0.18966E-05 442 0.211E-02 0.497E-03
DAV: 21 -0.903885009738E+02 -0.45155E-04 -0.69175E-06 480 0.146E-02 0.304E-03
DAV: 22 -0.903885238603E+02 -0.22886E-04 -0.15506E-05 488 0.262E-02 0.692E-03
DAV: 23 -0.903885269142E+02 -0.30539E-05 -0.31712E-06 520 0.135E-02
1 F= -.90388527E+02 E0= -.90393458E+02 d E =0.147946E-01