iterations/neb0_image01_iter187_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 0.365441107728E+03 0.36544E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.315256178819E+01 -0.36229E+03 -0.34932E+03 842 0.196E+02
DAV: 3 -0.955853185463E+02 -0.98738E+02 -0.98388E+02 669 0.116E+02
DAV: 4 -0.100211871666E+03 -0.46266E+01 -0.46157E+01 680 0.287E+01
DAV: 5 -0.100305240444E+03 -0.93369E-01 -0.93318E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916807186192E+02 0.86245E+01 -0.31007E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908823107901E+02 0.79841E+00 -0.18324E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905080132419E+02 0.37430E+00 -0.55011E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904258128005E+02 0.82200E-01 -0.13143E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904212932460E+02 0.45196E-02 -0.47215E-02 720 0.124E+00 0.324E-01
DAV: 11 -0.904255511391E+02 -0.42579E-02 -0.85381E-03 608 0.617E-01 0.116E-01
DAV: 12 -0.904287095300E+02 -0.31584E-02 -0.61917E-03 629 0.420E-01 0.130E-01
DAV: 13 -0.904312492751E+02 -0.25397E-02 -0.15933E-03 853 0.308E-01 0.771E-02
DAV: 14 -0.904345546758E+02 -0.33054E-02 -0.16002E-03 639 0.207E-01 0.749E-02
DAV: 15 -0.904359671682E+02 -0.14125E-02 -0.27301E-04 768 0.118E-01 0.561E-02
DAV: 16 -0.904373487297E+02 -0.13816E-02 -0.11835E-03 661 0.213E-01 0.406E-02
DAV: 17 -0.904381559878E+02 -0.80726E-03 -0.15897E-04 701 0.851E-02 0.343E-02
DAV: 18 -0.904384337226E+02 -0.27773E-03 -0.49909E-05 688 0.352E-02 0.242E-02
DAV: 19 -0.904386734176E+02 -0.23969E-03 -0.13331E-04 628 0.710E-02 0.914E-03
DAV: 20 -0.904386988738E+02 -0.25456E-04 -0.18962E-05 600 0.267E-02 0.963E-03
DAV: 21 -0.904387379517E+02 -0.39078E-04 -0.76990E-06 418 0.165E-02 0.814E-03
DAV: 22 -0.904387595050E+02 -0.21553E-04 -0.49898E-06 468 0.178E-02 0.460E-03
DAV: 23 -0.904387649736E+02 -0.54685E-05 -0.95955E-06 488 0.171E-02
1 F= -.90438765E+02 E0= -.90445013E+02 d E =0.187428E-01