./iterations/neb0_image09_iter66_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 0.374822071238E+03 0.37482E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.257702314758E+01 -0.37225E+03 -0.35987E+03 877 0.196E+02
DAV: 3 -0.966864647764E+02 -0.99263E+02 -0.98926E+02 656 0.117E+02
DAV: 4 -0.101224925934E+03 -0.45385E+01 -0.45292E+01 696 0.289E+01
DAV: 5 -0.101314802608E+03 -0.89877E-01 -0.89838E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926624941644E+02 0.86523E+01 -0.30858E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917988042013E+02 0.86369E+00 -0.17216E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914221355258E+02 0.37667E+00 -0.54435E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913391740751E+02 0.82961E-01 -0.13062E-01 704 0.155E+00 0.423E-01
DAV: 10 -0.913301753047E+02 0.89988E-02 -0.45827E-02 752 0.112E+00 0.304E-01
DAV: 11 -0.913348689006E+02 -0.46936E-02 -0.13774E-02 608 0.607E-01 0.154E-01
DAV: 12 -0.913377621133E+02 -0.28932E-02 -0.30409E-03 636 0.245E-01 0.113E-01
DAV: 13 -0.913415554921E+02 -0.37934E-02 -0.16695E-03 720 0.223E-01 0.443E-02
DAV: 14 -0.913450250763E+02 -0.34696E-02 -0.60984E-04 669 0.140E-01 0.318E-02
DAV: 15 -0.913463937404E+02 -0.13687E-02 -0.14091E-04 672 0.731E-02 0.342E-02
DAV: 16 -0.913477065603E+02 -0.13128E-02 -0.35090E-04 644 0.999E-02 0.205E-02
DAV: 17 -0.913479970531E+02 -0.29049E-03 -0.42706E-05 680 0.490E-02 0.139E-02
DAV: 18 -0.913482581392E+02 -0.26109E-03 -0.64598E-05 634 0.422E-02 0.135E-02
DAV: 19 -0.913483478729E+02 -0.89734E-04 -0.12860E-05 480 0.223E-02 0.611E-03
DAV: 20 -0.913483852315E+02 -0.37359E-04 -0.11085E-05 448 0.179E-02 0.171E-03
DAV: 21 -0.913484112959E+02 -0.26064E-04 -0.42477E-06 428 0.928E-03 0.176E-03
DAV: 22 -0.913484153430E+02 -0.40471E-05 -0.84719E-07 496 0.386E-03
1 F= -.91348415E+02 E0= -.91353189E+02 d E =0.143208E-01