iterations/neb0_image02_iter58_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 0.368019968496E+03 0.36802E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.463529027875E+01 -0.36338E+03 -0.34860E+03 834 0.195E+02
DAV: 3 -0.956959608901E+02 -0.10033E+03 -0.99996E+02 688 0.116E+02
DAV: 4 -0.100171482607E+03 -0.44755E+01 -0.44652E+01 696 0.279E+01
DAV: 5 -0.100258481750E+03 -0.86999E-01 -0.86956E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916477996487E+02 0.86107E+01 -0.31016E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908252618292E+02 0.82254E+00 -0.18247E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904369743109E+02 0.38829E+00 -0.56129E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903463079702E+02 0.90666E-01 -0.13998E-01 712 0.166E+00 0.434E-01
DAV: 10 -0.903396768143E+02 0.66312E-02 -0.45959E-02 712 0.126E+00 0.318E-01
DAV: 11 -0.903434335704E+02 -0.37568E-02 -0.73102E-03 608 0.477E-01 0.147E-01
DAV: 12 -0.903467899374E+02 -0.33564E-02 -0.66148E-03 629 0.457E-01 0.125E-01
DAV: 13 -0.903495706910E+02 -0.27808E-02 -0.11921E-03 840 0.304E-01 0.794E-02
DAV: 14 -0.903526997674E+02 -0.31291E-02 -0.16092E-03 637 0.196E-01 0.585E-02
DAV: 15 -0.903552086968E+02 -0.25089E-02 -0.51194E-04 693 0.148E-01 0.412E-02
DAV: 16 -0.903563217129E+02 -0.11130E-02 -0.52014E-04 664 0.121E-01 0.339E-02
DAV: 17 -0.903572834941E+02 -0.96178E-03 -0.22271E-04 833 0.100E-01 0.162E-02
DAV: 18 -0.903574423544E+02 -0.15886E-03 -0.38897E-05 712 0.321E-02 0.123E-02
DAV: 19 -0.903576912029E+02 -0.24885E-03 -0.43640E-05 558 0.335E-02 0.653E-03
DAV: 20 -0.903577288343E+02 -0.37631E-04 -0.39098E-06 480 0.162E-02 0.446E-03
DAV: 21 -0.903577807798E+02 -0.51946E-04 -0.14641E-05 441 0.226E-02 0.367E-03
DAV: 22 -0.903577964907E+02 -0.15711E-04 -0.28098E-06 477 0.101E-02 0.294E-03
DAV: 23 -0.903577994111E+02 -0.29203E-05 -0.10618E-06 488 0.582E-03
1 F= -.90357799E+02 E0= -.90363187E+02 d E =0.161617E-01