iterations/neb0_image08_iter246_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 0.374742685594E+03 0.37474E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.377457965421E+01 -0.37097E+03 -0.35850E+03 869 0.196E+02
DAV: 3 -0.968226739445E+02 -0.10060E+03 -0.10028E+03 672 0.117E+02
DAV: 4 -0.101319812559E+03 -0.44971E+01 -0.44848E+01 720 0.284E+01
DAV: 5 -0.101406349100E+03 -0.86537E-01 -0.86489E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.926774877262E+02 0.87289E+01 -0.30954E+01 725 0.300E+01 0.120E+01
DAV: 7 -0.917932996848E+02 0.88419E+00 -0.17375E+00 712 0.613E+00 0.480E+00
DAV: 8 -0.914152546701E+02 0.37805E+00 -0.54675E-01 720 0.397E+00 0.161E+00
DAV: 9 -0.913360188221E+02 0.79236E-01 -0.13363E-01 728 0.156E+00 0.421E-01
DAV: 10 -0.913281787031E+02 0.78401E-02 -0.46646E-02 728 0.112E+00 0.309E-01
DAV: 11 -0.913331415816E+02 -0.49629E-02 -0.15855E-02 616 0.654E-01 0.161E-01
DAV: 12 -0.913359322998E+02 -0.27907E-02 -0.29968E-03 628 0.235E-01 0.116E-01
DAV: 13 -0.913396441664E+02 -0.37119E-02 -0.30355E-03 645 0.290E-01 0.603E-02
DAV: 14 -0.913427479402E+02 -0.31038E-02 -0.95681E-04 661 0.176E-01 0.270E-02
DAV: 15 -0.913441699505E+02 -0.14220E-02 -0.17335E-04 672 0.703E-02 0.169E-02
DAV: 16 -0.913452429849E+02 -0.10730E-02 -0.13620E-04 647 0.626E-02 0.997E-03
DAV: 17 -0.913456343510E+02 -0.39137E-03 -0.33453E-05 608 0.265E-02 0.962E-03
DAV: 18 -0.913457901323E+02 -0.15578E-03 -0.19113E-05 496 0.279E-02 0.413E-03
DAV: 19 -0.913458810761E+02 -0.90944E-04 -0.12882E-05 461 0.147E-02 0.373E-03
DAV: 20 -0.913458955363E+02 -0.14460E-04 -0.20662E-06 528 0.823E-03 0.187E-03
DAV: 21 -0.913459117980E+02 -0.16262E-04 -0.45392E-06 409 0.129E-02 0.270E-03
DAV: 22 -0.913459127311E+02 -0.93313E-06 -0.92920E-07 504 0.576E-03
1 F= -.91345913E+02 E0= -.91350989E+02 d E =0.152284E-01