iterations/neb0_image07_iter8_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 0.362915991666E+03 0.36292E+03 -0.14201E+04 624 0.799E+02
DAV: 2 0.262314219457E+01 -0.36029E+03 -0.34822E+03 874 0.193E+02
DAV: 3 -0.944127587457E+02 -0.97036E+02 -0.96604E+02 688 0.114E+02
DAV: 4 -0.988727974350E+02 -0.44600E+01 -0.44423E+01 720 0.277E+01
DAV: 5 -0.989673026634E+02 -0.94505E-01 -0.94459E-01 736 0.356E+00 0.216E+01
DAV: 6 -0.905656354806E+02 0.84017E+01 -0.31432E+01 680 0.309E+01 0.113E+01
DAV: 7 -0.898163874075E+02 0.74925E+00 -0.16127E+00 712 0.683E+00 0.484E+00
DAV: 8 -0.894461084306E+02 0.37028E+00 -0.64425E-01 696 0.442E+00 0.170E+00
DAV: 9 -0.893586744382E+02 0.87434E-01 -0.14847E-01 725 0.190E+00 0.507E-01
DAV: 10 -0.893493875986E+02 0.92868E-02 -0.19029E-02 768 0.719E-01 0.289E-01
DAV: 11 -0.893501088804E+02 -0.72128E-03 -0.13817E-02 632 0.687E-01 0.173E-01
DAV: 12 -0.893522321532E+02 -0.21233E-02 -0.33144E-03 736 0.385E-01 0.105E-01
DAV: 13 -0.893564730543E+02 -0.42409E-02 -0.30699E-03 612 0.290E-01 0.100E-01
DAV: 14 -0.893597222820E+02 -0.32492E-02 -0.13815E-03 631 0.205E-01 0.498E-02
DAV: 15 -0.893624739603E+02 -0.27517E-02 -0.10610E-03 749 0.206E-01 0.512E-02
DAV: 16 -0.893637039314E+02 -0.12300E-02 -0.32545E-04 869 0.127E-01 0.339E-02
DAV: 17 -0.893643283417E+02 -0.62441E-03 -0.27262E-04 685 0.990E-02 0.215E-02
DAV: 18 -0.893649315717E+02 -0.60323E-03 -0.88322E-05 722 0.561E-02 0.143E-02
DAV: 19 -0.893652526991E+02 -0.32113E-03 -0.58167E-05 669 0.435E-02 0.716E-03
DAV: 20 -0.893653428005E+02 -0.90101E-04 -0.12601E-05 477 0.222E-02 0.389E-03
DAV: 21 -0.893653958565E+02 -0.53056E-04 -0.90284E-06 417 0.141E-02 0.327E-03
DAV: 22 -0.893654087724E+02 -0.12916E-04 -0.33017E-06 464 0.105E-02 0.181E-03
DAV: 23 -0.893654141890E+02 -0.54166E-05 -0.14199E-06 414 0.595E-03
1 F= -.89365414E+02 E0= -.89369372E+02 d E =0.118722E-01