iterations/neb0_image09_iter96_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 0.374323819327E+03 0.37432E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.245123299419E+01 -0.37187E+03 -0.35952E+03 877 0.196E+02
DAV: 3 -0.966751197520E+02 -0.99126E+02 -0.98788E+02 656 0.116E+02
DAV: 4 -0.101213026363E+03 -0.45379E+01 -0.45285E+01 696 0.289E+01
DAV: 5 -0.101303048252E+03 -0.90022E-01 -0.89982E-01 736 0.368E+00 0.226E+01
DAV: 6 -0.926652808851E+02 0.86378E+01 -0.30844E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918010558517E+02 0.86423E+00 -0.17058E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914240307133E+02 0.37703E+00 -0.54764E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913417397973E+02 0.82291E-01 -0.13053E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913327470349E+02 0.89928E-02 -0.45182E-02 752 0.111E+00 0.302E-01
DAV: 11 -0.913372813758E+02 -0.45343E-02 -0.13091E-02 616 0.592E-01 0.148E-01
DAV: 12 -0.913401955910E+02 -0.29142E-02 -0.29365E-03 620 0.246E-01 0.109E-01
DAV: 13 -0.913439132214E+02 -0.37176E-02 -0.13997E-03 656 0.204E-01 0.449E-02
DAV: 14 -0.913473544320E+02 -0.34412E-02 -0.71351E-04 669 0.153E-01 0.350E-02
DAV: 15 -0.913486599333E+02 -0.13055E-02 -0.13406E-04 712 0.744E-02 0.347E-02
DAV: 16 -0.913500928121E+02 -0.14329E-02 -0.35372E-04 647 0.967E-02 0.181E-02
DAV: 17 -0.913504858249E+02 -0.39301E-03 -0.55690E-05 688 0.539E-02 0.128E-02
DAV: 18 -0.913507423487E+02 -0.25652E-03 -0.48583E-05 573 0.336E-02 0.114E-02
DAV: 19 -0.913508194253E+02 -0.77077E-04 -0.11744E-05 488 0.198E-02 0.514E-03
DAV: 20 -0.913508506731E+02 -0.31248E-04 -0.79447E-06 448 0.175E-02 0.169E-03
DAV: 21 -0.913508729640E+02 -0.22291E-04 -0.45115E-06 429 0.107E-02 0.275E-03
DAV: 22 -0.913508789969E+02 -0.60330E-05 -0.10045E-06 472 0.445E-03
1 F= -.91350879E+02 E0= -.91355542E+02 d E =0.139889E-01