iterations/neb0_image09_iter104_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 0.374688915058E+03 0.37469E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.248125480918E+01 -0.37221E+03 -0.35987E+03 877 0.196E+02
DAV: 3 -0.968185699279E+02 -0.99300E+02 -0.98964E+02 664 0.117E+02
DAV: 4 -0.101251696327E+03 -0.44331E+01 -0.44240E+01 696 0.285E+01
DAV: 5 -0.101338529609E+03 -0.86833E-01 -0.86795E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926746317802E+02 0.86639E+01 -0.30881E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918030663752E+02 0.87157E+00 -0.17130E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914254385533E+02 0.37763E+00 -0.54470E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913433556874E+02 0.82083E-01 -0.13110E-01 704 0.155E+00 0.425E-01
DAV: 10 -0.913345514166E+02 0.88043E-02 -0.46174E-02 792 0.113E+00 0.304E-01
DAV: 11 -0.913389120820E+02 -0.43607E-02 -0.12776E-02 616 0.593E-01 0.138E-01
DAV: 12 -0.913418994027E+02 -0.29873E-02 -0.29530E-03 620 0.243E-01 0.115E-01
DAV: 13 -0.913457394569E+02 -0.38401E-02 -0.15751E-03 712 0.217E-01 0.433E-02
DAV: 14 -0.913490079901E+02 -0.32685E-02 -0.55533E-04 669 0.125E-01 0.355E-02
DAV: 15 -0.913506274894E+02 -0.16195E-02 -0.14713E-04 704 0.732E-02 0.339E-02
DAV: 16 -0.913519319761E+02 -0.13045E-02 -0.33997E-04 650 0.904E-02 0.196E-02
DAV: 17 -0.913522341078E+02 -0.30213E-03 -0.62568E-05 704 0.569E-02 0.118E-02
DAV: 18 -0.913524723458E+02 -0.23824E-03 -0.38409E-05 556 0.265E-02 0.108E-02
DAV: 19 -0.913525302426E+02 -0.57897E-04 -0.85623E-06 488 0.184E-02 0.481E-03
DAV: 20 -0.913525646769E+02 -0.34434E-04 -0.12801E-05 421 0.226E-02 0.359E-03
DAV: 21 -0.913525803469E+02 -0.15670E-04 -0.28260E-06 472 0.938E-03 0.318E-03
DAV: 22 -0.913525865818E+02 -0.62349E-05 -0.15078E-06 418 0.757E-03
1 F= -.91352587E+02 E0= -.91357369E+02 d E =0.143469E-01