iterations/neb0_image07_iter256_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 0.372004229338E+03 0.37200E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.376946706512E+01 -0.36823E+03 -0.35658E+03 869 0.194E+02
DAV: 3 -0.967040164002E+02 -0.10047E+03 -0.10015E+03 693 0.116E+02
DAV: 4 -0.101206093464E+03 -0.45021E+01 -0.44909E+01 704 0.280E+01
DAV: 5 -0.101294377094E+03 -0.88284E-01 -0.88235E-01 736 0.354E+00 0.228E+01
DAV: 6 -0.926193582020E+02 0.86750E+01 -0.30942E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917616179058E+02 0.85774E+00 -0.17336E+00 736 0.617E+00 0.481E+00
DAV: 8 -0.913855209092E+02 0.37610E+00 -0.53810E-01 728 0.396E+00 0.162E+00
DAV: 9 -0.913029302258E+02 0.82591E-01 -0.12996E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912938437654E+02 0.90865E-02 -0.43118E-02 757 0.106E+00 0.297E-01
DAV: 11 -0.912985057313E+02 -0.46620E-02 -0.13588E-02 608 0.606E-01 0.155E-01
DAV: 12 -0.913013286452E+02 -0.28229E-02 -0.27667E-03 620 0.261E-01 0.928E-02
DAV: 13 -0.913051337260E+02 -0.38051E-02 -0.17165E-03 633 0.202E-01 0.509E-02
DAV: 14 -0.913084048133E+02 -0.32711E-02 -0.94486E-04 722 0.221E-01 0.469E-02
DAV: 15 -0.913099525061E+02 -0.15477E-02 -0.41334E-04 656 0.113E-01 0.333E-02
DAV: 16 -0.913107706798E+02 -0.81817E-03 -0.15740E-04 744 0.769E-02 0.113E-02
DAV: 17 -0.913116656876E+02 -0.89501E-03 -0.13633E-04 695 0.611E-02 0.164E-02
DAV: 18 -0.913118634699E+02 -0.19778E-03 -0.17368E-05 504 0.334E-02 0.919E-03
DAV: 19 -0.913119906479E+02 -0.12718E-03 -0.44582E-05 625 0.348E-02 0.689E-03
DAV: 20 -0.913120247304E+02 -0.34083E-04 -0.50124E-06 496 0.199E-02 0.264E-03
DAV: 21 -0.913120446781E+02 -0.19948E-04 -0.29486E-06 434 0.825E-03 0.175E-03
DAV: 22 -0.913120566351E+02 -0.11957E-04 -0.17198E-06 420 0.647E-03 0.901E-04
DAV: 23 -0.913120578597E+02 -0.12246E-05 -0.83300E-07 520 0.488E-03
1 F= -.91312058E+02 E0= -.91316972E+02 d E =0.147423E-01