iterations/neb0_image08_iter293_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 0.374995633402E+03 0.37500E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.368125010058E+01 -0.37131E+03 -0.35986E+03 877 0.196E+02
DAV: 3 -0.964384745356E+02 -0.10012E+03 -0.99765E+02 648 0.117E+02
DAV: 4 -0.101245868406E+03 -0.48074E+01 -0.47961E+01 712 0.299E+01
DAV: 5 -0.101340888777E+03 -0.95020E-01 -0.94983E-01 728 0.380E+00 0.228E+01
DAV: 6 -0.926537890718E+02 0.86871E+01 -0.30901E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917865529389E+02 0.86724E+00 -0.17145E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914130553397E+02 0.37350E+00 -0.53691E-01 728 0.396E+00 0.163E+00
DAV: 9 -0.913305625107E+02 0.82493E-01 -0.12981E-01 736 0.153E+00 0.421E-01
DAV: 10 -0.913218653074E+02 0.86972E-02 -0.44486E-02 733 0.107E+00 0.302E-01
DAV: 11 -0.913268437040E+02 -0.49784E-02 -0.14516E-02 608 0.620E-01 0.161E-01
DAV: 12 -0.913296944941E+02 -0.28508E-02 -0.27746E-03 634 0.231E-01 0.110E-01
DAV: 13 -0.913335519532E+02 -0.38575E-02 -0.27561E-03 639 0.271E-01 0.582E-02
DAV: 14 -0.913366524217E+02 -0.31005E-02 -0.87721E-04 672 0.180E-01 0.266E-02
DAV: 15 -0.913383176316E+02 -0.16652E-02 -0.20855E-04 672 0.718E-02 0.206E-02
DAV: 16 -0.913391651563E+02 -0.84752E-03 -0.11912E-04 661 0.687E-02 0.107E-02
DAV: 17 -0.913397677605E+02 -0.60260E-03 -0.72558E-05 653 0.362E-02 0.124E-02
DAV: 18 -0.913398685733E+02 -0.10081E-03 -0.79497E-06 520 0.227E-02 0.690E-03
DAV: 19 -0.913400208065E+02 -0.15223E-03 -0.45373E-05 601 0.356E-02 0.781E-03
DAV: 20 -0.913400264503E+02 -0.56438E-05 -0.37302E-06 528 0.183E-02
1 F= -.91340026E+02 E0= -.91344769E+02 d E =0.142288E-01