iterations/neb0_image09_iter114_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 0.374739478534E+03 0.37474E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.250469686987E+01 -0.37223E+03 -0.35989E+03 877 0.196E+02
DAV: 3 -0.967033348547E+02 -0.99208E+02 -0.98873E+02 656 0.117E+02
DAV: 4 -0.101240640712E+03 -0.45373E+01 -0.45278E+01 704 0.289E+01
DAV: 5 -0.101329960618E+03 -0.89320E-01 -0.89281E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926699746414E+02 0.86600E+01 -0.30881E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918031290173E+02 0.86685E+00 -0.17106E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914267631318E+02 0.37637E+00 -0.54213E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913439222197E+02 0.82841E-01 -0.13140E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913350604730E+02 0.88617E-02 -0.45684E-02 784 0.112E+00 0.304E-01
DAV: 11 -0.913395436154E+02 -0.44831E-02 -0.13098E-02 616 0.596E-01 0.144E-01
DAV: 12 -0.913424653342E+02 -0.29217E-02 -0.29768E-03 623 0.247E-01 0.110E-01
DAV: 13 -0.913462530121E+02 -0.37877E-02 -0.14158E-03 696 0.205E-01 0.444E-02
DAV: 14 -0.913497831014E+02 -0.35301E-02 -0.68697E-04 661 0.146E-01 0.363E-02
DAV: 15 -0.913509749470E+02 -0.11918E-02 -0.12754E-04 712 0.771E-02 0.345E-02
DAV: 16 -0.913524383962E+02 -0.14634E-02 -0.39030E-04 633 0.101E-01 0.212E-02
DAV: 17 -0.913527598486E+02 -0.32145E-03 -0.74988E-05 752 0.653E-02 0.119E-02
DAV: 18 -0.913530004164E+02 -0.24057E-03 -0.38824E-05 562 0.277E-02 0.112E-02
DAV: 19 -0.913530944065E+02 -0.93990E-04 -0.12232E-05 480 0.184E-02 0.494E-03
DAV: 20 -0.913531263891E+02 -0.31983E-04 -0.89827E-06 448 0.185E-02 0.200E-03
DAV: 21 -0.913531455267E+02 -0.19138E-04 -0.32113E-06 442 0.830E-03 0.236E-03
DAV: 22 -0.913531511016E+02 -0.55749E-05 -0.86007E-07 448 0.462E-03
1 F= -.91353151E+02 E0= -.91357978E+02 d E =0.144806E-01