iterations/neb0_image08_iter84_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 0.375636769885E+03 0.37564E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.369129206142E+01 -0.37195E+03 -0.35858E+03 869 0.196E+02
DAV: 3 -0.966959917130E+02 -0.10039E+03 -0.10005E+03 688 0.117E+02
DAV: 4 -0.101093762551E+03 -0.43978E+01 -0.43877E+01 688 0.276E+01
DAV: 5 -0.101181374168E+03 -0.87612E-01 -0.87573E-01 728 0.348E+00 0.227E+01
DAV: 6 -0.925784338929E+02 0.86029E+01 -0.30770E+01 698 0.302E+01 0.119E+01
DAV: 7 -0.917169474342E+02 0.86149E+00 -0.16817E+00 720 0.615E+00 0.481E+00
DAV: 8 -0.913376273811E+02 0.37932E+00 -0.55847E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912545485084E+02 0.83079E-01 -0.12941E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912451358617E+02 0.94126E-02 -0.47054E-02 720 0.112E+00 0.308E-01
DAV: 11 -0.912498537718E+02 -0.47179E-02 -0.13904E-02 624 0.607E-01 0.157E-01
DAV: 12 -0.912527869563E+02 -0.29332E-02 -0.32066E-03 626 0.251E-01 0.128E-01
DAV: 13 -0.912565082805E+02 -0.37213E-02 -0.18596E-03 741 0.249E-01 0.455E-02
DAV: 14 -0.912596036100E+02 -0.30953E-02 -0.54867E-04 656 0.119E-01 0.407E-02
DAV: 15 -0.912616283479E+02 -0.20247E-02 -0.17440E-04 653 0.655E-02 0.384E-02
DAV: 16 -0.912628229660E+02 -0.11946E-02 -0.40914E-04 650 0.101E-01 0.233E-02
DAV: 17 -0.912631051808E+02 -0.28221E-03 -0.65411E-05 680 0.591E-02 0.132E-02
DAV: 18 -0.912633513912E+02 -0.24621E-03 -0.53163E-05 626 0.329E-02 0.120E-02
DAV: 19 -0.912634055996E+02 -0.54208E-04 -0.65360E-06 496 0.205E-02 0.625E-03
DAV: 20 -0.912634464275E+02 -0.40828E-04 -0.24841E-05 482 0.302E-02 0.696E-03
DAV: 21 -0.912634642265E+02 -0.17799E-04 -0.45044E-06 464 0.175E-02 0.312E-03
DAV: 22 -0.912634730978E+02 -0.88713E-05 -0.38070E-06 424 0.974E-03
1 F= -.91263473E+02 E0= -.91268430E+02 d E =0.148697E-01