iterations/neb0_image01_iter260_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 0.365945640138E+03 0.36595E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.332011764059E+01 -0.36263E+03 -0.34942E+03 839 0.196E+02
DAV: 3 -0.955095302344E+02 -0.98830E+02 -0.98482E+02 648 0.116E+02
DAV: 4 -0.100253448352E+03 -0.47439E+01 -0.47316E+01 696 0.297E+01
DAV: 5 -0.100346741808E+03 -0.93293E-01 -0.93250E-01 744 0.376E+00 0.222E+01
DAV: 6 -0.917072589858E+02 0.86395E+01 -0.30961E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908941259814E+02 0.81313E+00 -0.18336E+00 712 0.638E+00 0.485E+00
DAV: 8 -0.905151504338E+02 0.37898E+00 -0.55688E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904314499169E+02 0.83701E-01 -0.13505E-01 720 0.165E+00 0.425E-01
DAV: 10 -0.904266310325E+02 0.48189E-02 -0.45927E-02 736 0.124E+00 0.317E-01
DAV: 11 -0.904304976889E+02 -0.38667E-02 -0.66198E-03 608 0.499E-01 0.135E-01
DAV: 12 -0.904341000939E+02 -0.36024E-02 -0.70596E-03 637 0.490E-01 0.132E-01
DAV: 13 -0.904366416197E+02 -0.25415E-02 -0.16230E-03 869 0.312E-01 0.741E-02
DAV: 14 -0.904396788741E+02 -0.30373E-02 -0.13114E-03 642 0.173E-01 0.595E-02
DAV: 15 -0.904416049880E+02 -0.19261E-02 -0.36826E-04 680 0.112E-01 0.480E-02
DAV: 16 -0.904430632844E+02 -0.14583E-02 -0.85238E-04 666 0.175E-01 0.348E-02
DAV: 17 -0.904437863271E+02 -0.72304E-03 -0.12238E-04 672 0.776E-02 0.281E-02
DAV: 18 -0.904440637245E+02 -0.27740E-03 -0.11611E-04 664 0.561E-02 0.985E-03
DAV: 19 -0.904442202878E+02 -0.15656E-03 -0.33749E-05 517 0.303E-02 0.651E-03
DAV: 20 -0.904442501211E+02 -0.29833E-04 -0.57255E-06 488 0.166E-02 0.817E-03
DAV: 21 -0.904442812218E+02 -0.31101E-04 -0.57764E-06 417 0.158E-02 0.475E-03
DAV: 22 -0.904442900613E+02 -0.88395E-05 -0.52816E-06 480 0.137E-02
1 F= -.90444290E+02 E0= -.90449632E+02 d E =0.160271E-01