./iterations/neb0_image08_iter122_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 0.375035719665E+03 0.37504E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.332032189528E+01 -0.37172E+03 -0.35882E+03 869 0.196E+02
DAV: 3 -0.967320731652E+02 -0.10005E+03 -0.99713E+02 674 0.117E+02
DAV: 4 -0.101142857188E+03 -0.44108E+01 -0.44000E+01 712 0.279E+01
DAV: 5 -0.101230003196E+03 -0.87146E-01 -0.87113E-01 736 0.352E+00 0.227E+01
DAV: 6 -0.926089865632E+02 0.86210E+01 -0.30831E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917517018549E+02 0.85728E+00 -0.17058E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913751073196E+02 0.37659E+00 -0.55280E-01 704 0.401E+00 0.163E+00
DAV: 9 -0.912926612047E+02 0.82446E-01 -0.13044E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.912837469704E+02 0.89142E-02 -0.46238E-02 760 0.112E+00 0.305E-01
DAV: 11 -0.912884246492E+02 -0.46777E-02 -0.13535E-02 616 0.603E-01 0.150E-01
DAV: 12 -0.912913186977E+02 -0.28940E-02 -0.29366E-03 606 0.252E-01 0.114E-01
DAV: 13 -0.912948528853E+02 -0.35342E-02 -0.14003E-03 690 0.207E-01 0.468E-02
DAV: 14 -0.912981993718E+02 -0.33465E-02 -0.73278E-04 656 0.156E-01 0.375E-02
DAV: 15 -0.912996720835E+02 -0.14727E-02 -0.20185E-04 672 0.923E-02 0.420E-02
DAV: 16 -0.913010218554E+02 -0.13498E-02 -0.43279E-04 642 0.108E-01 0.214E-02
DAV: 17 -0.913013890533E+02 -0.36720E-03 -0.83819E-05 752 0.674E-02 0.138E-02
DAV: 18 -0.913016532990E+02 -0.26425E-03 -0.42480E-05 626 0.289E-02 0.119E-02
DAV: 19 -0.913017545917E+02 -0.10129E-03 -0.12990E-05 472 0.179E-02 0.541E-03
DAV: 20 -0.913017861234E+02 -0.31532E-04 -0.73234E-06 456 0.181E-02 0.152E-03
DAV: 21 -0.913018105306E+02 -0.24407E-04 -0.60396E-06 409 0.124E-02 0.318E-03
DAV: 22 -0.913018143637E+02 -0.38331E-05 -0.93656E-07 504 0.505E-03
1 F= -.91301814E+02 E0= -.91306976E+02 d E =0.154853E-01