iterations/neb0_image07_iter250_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 0.371840047588E+03 0.37184E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.388464978718E+01 -0.36796E+03 -0.35617E+03 866 0.194E+02
DAV: 3 -0.965675659965E+02 -0.10045E+03 -0.10012E+03 685 0.116E+02
DAV: 4 -0.101176295157E+03 -0.46087E+01 -0.45970E+01 696 0.284E+01
DAV: 5 -0.101267806383E+03 -0.91511E-01 -0.91459E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926112654711E+02 0.86565E+01 -0.30870E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917546244477E+02 0.85664E+00 -0.17215E+00 736 0.616E+00 0.480E+00
DAV: 8 -0.913799697000E+02 0.37465E+00 -0.53734E-01 736 0.394E+00 0.162E+00
DAV: 9 -0.912975860468E+02 0.82384E-01 -0.13076E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912884863139E+02 0.90997E-02 -0.42448E-02 749 0.105E+00 0.294E-01
DAV: 11 -0.912929887531E+02 -0.45024E-02 -0.12652E-02 608 0.581E-01 0.146E-01
DAV: 12 -0.912960626341E+02 -0.30739E-02 -0.28074E-03 626 0.268E-01 0.921E-02
DAV: 13 -0.912996177930E+02 -0.35552E-02 -0.13216E-03 639 0.175E-01 0.515E-02
DAV: 14 -0.913035853990E+02 -0.39676E-02 -0.12559E-03 730 0.258E-01 0.554E-02
DAV: 15 -0.913044221034E+02 -0.83670E-03 -0.38485E-04 704 0.125E-01 0.402E-02
DAV: 16 -0.913052662110E+02 -0.84411E-03 -0.22297E-04 706 0.854E-02 0.137E-02
DAV: 17 -0.913062177177E+02 -0.95151E-03 -0.14564E-04 722 0.626E-02 0.167E-02
DAV: 18 -0.913064723666E+02 -0.25465E-03 -0.25870E-05 568 0.354E-02 0.832E-03
DAV: 19 -0.913065975493E+02 -0.12518E-03 -0.34667E-05 637 0.298E-02 0.562E-03
DAV: 20 -0.913066204181E+02 -0.22869E-04 -0.22939E-06 504 0.133E-02 0.265E-03
DAV: 21 -0.913066459608E+02 -0.25543E-04 -0.38522E-06 412 0.951E-03 0.852E-04
DAV: 22 -0.913066555381E+02 -0.95773E-05 -0.11528E-06 464 0.389E-03
1 F= -.91306656E+02 E0= -.91311243E+02 d E =0.137628E-01