iterations/neb0_image09_iter62_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 0.374737110323E+03 0.37474E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.255540401370E+01 -0.37218E+03 -0.35981E+03 877 0.196E+02
DAV: 3 -0.966846111781E+02 -0.99240E+02 -0.98903E+02 656 0.117E+02
DAV: 4 -0.101221970341E+03 -0.45374E+01 -0.45281E+01 696 0.289E+01
DAV: 5 -0.101311906614E+03 -0.89936E-01 -0.89897E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926630961750E+02 0.86488E+01 -0.30856E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917993850986E+02 0.86371E+00 -0.17193E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914225893505E+02 0.37680E+00 -0.54511E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913397176469E+02 0.82872E-01 -0.13052E-01 704 0.155E+00 0.423E-01
DAV: 10 -0.913306998306E+02 0.90178E-02 -0.46083E-02 760 0.112E+00 0.305E-01
DAV: 11 -0.913353917430E+02 -0.46919E-02 -0.13990E-02 605 0.611E-01 0.155E-01
DAV: 12 -0.913382519491E+02 -0.28602E-02 -0.30619E-03 639 0.243E-01 0.114E-01
DAV: 13 -0.913421011562E+02 -0.38492E-02 -0.17628E-03 712 0.229E-01 0.444E-02
DAV: 14 -0.913455163666E+02 -0.34152E-02 -0.57406E-04 677 0.133E-01 0.310E-02
DAV: 15 -0.913469624392E+02 -0.14461E-02 -0.13697E-04 688 0.684E-02 0.331E-02
DAV: 16 -0.913482742953E+02 -0.13119E-02 -0.34976E-04 647 0.964E-02 0.205E-02
DAV: 17 -0.913485238814E+02 -0.24959E-03 -0.42035E-05 656 0.477E-02 0.128E-02
DAV: 18 -0.913487670680E+02 -0.24319E-03 -0.54343E-05 626 0.373E-02 0.116E-02
DAV: 19 -0.913488595043E+02 -0.92436E-04 -0.96754E-06 480 0.211E-02 0.536E-03
DAV: 20 -0.913488951936E+02 -0.35689E-04 -0.13933E-05 448 0.208E-02 0.282E-03
DAV: 21 -0.913489170400E+02 -0.21846E-04 -0.30008E-06 444 0.880E-03 0.209E-03
DAV: 22 -0.913489224330E+02 -0.53929E-05 -0.13797E-06 456 0.681E-03
1 F= -.91348922E+02 E0= -.91353619E+02 d E =0.140899E-01