iterations/neb0_image01_iter186_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 0.365442472449E+03 0.36544E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.315272080896E+01 -0.36229E+03 -0.34932E+03 842 0.196E+02
DAV: 3 -0.955853828916E+02 -0.98738E+02 -0.98389E+02 669 0.116E+02
DAV: 4 -0.100212131854E+03 -0.46267E+01 -0.46159E+01 680 0.287E+01
DAV: 5 -0.100305493926E+03 -0.93362E-01 -0.93311E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916805276971E+02 0.86250E+01 -0.31013E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908823328925E+02 0.79819E+00 -0.18325E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905080184422E+02 0.37431E+00 -0.55005E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904257803731E+02 0.82238E-01 -0.13162E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904212492784E+02 0.45311E-02 -0.47174E-02 720 0.124E+00 0.324E-01
DAV: 11 -0.904255016292E+02 -0.42524E-02 -0.84979E-03 608 0.613E-01 0.116E-01
DAV: 12 -0.904286692441E+02 -0.31676E-02 -0.61882E-03 629 0.420E-01 0.130E-01
DAV: 13 -0.904312010192E+02 -0.25318E-02 -0.15979E-03 853 0.308E-01 0.768E-02
DAV: 14 -0.904344992493E+02 -0.32982E-02 -0.15850E-03 639 0.206E-01 0.744E-02
DAV: 15 -0.904359192255E+02 -0.14200E-02 -0.27292E-04 760 0.117E-01 0.560E-02
DAV: 16 -0.904373008412E+02 -0.13816E-02 -0.11850E-03 661 0.213E-01 0.408E-02
DAV: 17 -0.904381065124E+02 -0.80567E-03 -0.15697E-04 693 0.847E-02 0.347E-02
DAV: 18 -0.904383916547E+02 -0.28514E-03 -0.53175E-05 688 0.362E-02 0.240E-02
DAV: 19 -0.904386248517E+02 -0.23320E-03 -0.13593E-04 628 0.714E-02 0.953E-03
DAV: 20 -0.904386502184E+02 -0.25367E-04 -0.18643E-05 600 0.264E-02 0.101E-02
DAV: 21 -0.904386882433E+02 -0.38025E-04 -0.73620E-06 418 0.162E-02 0.812E-03
DAV: 22 -0.904387094790E+02 -0.21236E-04 -0.54684E-06 468 0.186E-02 0.432E-03
DAV: 23 -0.904387147923E+02 -0.53133E-05 -0.92113E-06 488 0.168E-02
1 F= -.90438715E+02 E0= -.90444880E+02 d E =0.184952E-01