iterations/neb0_image05_iter38_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 0.371868493154E+03 0.37187E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.437656836568E+01 -0.36749E+03 -0.35611E+03 877 0.195E+02
DAV: 3 -0.933253024110E+02 -0.97702E+02 -0.97317E+02 624 0.116E+02
DAV: 4 -0.982829765508E+02 -0.49577E+01 -0.49426E+01 712 0.307E+01
DAV: 5 -0.983885815155E+02 -0.10560E+00 -0.10557E+00 696 0.402E+00 0.220E+01
DAV: 6 -0.900458227057E+02 0.83428E+01 -0.29671E+01 693 0.298E+01 0.114E+01
DAV: 7 -0.892169496787E+02 0.82887E+00 -0.16614E+00 712 0.653E+00 0.471E+00
DAV: 8 -0.888383080439E+02 0.37864E+00 -0.58176E-01 712 0.419E+00 0.165E+00
DAV: 9 -0.887480532558E+02 0.90255E-01 -0.13642E-01 720 0.172E+00 0.455E-01
DAV: 10 -0.887380545561E+02 0.99987E-02 -0.23524E-02 792 0.846E-01 0.288E-01
DAV: 11 -0.887402933492E+02 -0.22388E-02 -0.13440E-02 602 0.745E-01 0.164E-01
DAV: 12 -0.887420327984E+02 -0.17394E-02 -0.29186E-03 808 0.396E-01 0.107E-01
DAV: 13 -0.887464993866E+02 -0.44666E-02 -0.43839E-03 623 0.398E-01 0.107E-01
DAV: 14 -0.887488251026E+02 -0.23257E-02 -0.68807E-04 736 0.218E-01 0.561E-02
DAV: 15 -0.887518300878E+02 -0.30050E-02 -0.17153E-03 639 0.244E-01 0.570E-02
DAV: 16 -0.887536149296E+02 -0.17848E-02 -0.47265E-04 821 0.173E-01 0.229E-02
DAV: 17 -0.887544641354E+02 -0.84921E-03 -0.21002E-04 669 0.793E-02 0.183E-02
DAV: 18 -0.887552649198E+02 -0.80078E-03 -0.11055E-04 636 0.515E-02 0.106E-02
DAV: 19 -0.887554698023E+02 -0.20488E-03 -0.25782E-05 565 0.334E-02 0.491E-03
DAV: 20 -0.887556002020E+02 -0.13040E-03 -0.16195E-05 425 0.224E-02 0.324E-03
DAV: 21 -0.887556406319E+02 -0.40430E-04 -0.63243E-06 504 0.130E-02 0.300E-03
DAV: 22 -0.887556636258E+02 -0.22994E-04 -0.32216E-06 412 0.100E-02 0.152E-03
DAV: 23 -0.887556702580E+02 -0.66322E-05 -0.26013E-06 480 0.907E-03
1 F= -.88755670E+02 E0= -.88760233E+02 d E =0.136892E-01