./iterations/neb0_image07_iter248_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 0.372029305406E+03 0.37203E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.392915720827E+01 -0.36810E+03 -0.35629E+03 866 0.194E+02
DAV: 3 -0.965712700832E+02 -0.10050E+03 -0.10017E+03 685 0.116E+02
DAV: 4 -0.101179639119E+03 -0.46084E+01 -0.45969E+01 688 0.285E+01
DAV: 5 -0.101271360574E+03 -0.91721E-01 -0.91668E-01 736 0.362E+00 0.228E+01
DAV: 6 -0.926122568062E+02 0.86591E+01 -0.30816E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917525945847E+02 0.85966E+00 -0.17248E+00 736 0.617E+00 0.481E+00
DAV: 8 -0.913774904044E+02 0.37510E+00 -0.54014E-01 736 0.395E+00 0.162E+00
DAV: 9 -0.912955876739E+02 0.81903E-01 -0.13092E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.912864993714E+02 0.90883E-02 -0.41333E-02 741 0.104E+00 0.292E-01
DAV: 11 -0.912908973948E+02 -0.43980E-02 -0.12139E-02 608 0.567E-01 0.144E-01
DAV: 12 -0.912940357990E+02 -0.31384E-02 -0.27259E-03 615 0.272E-01 0.893E-02
DAV: 13 -0.912975864196E+02 -0.35506E-02 -0.12898E-03 642 0.171E-01 0.536E-02
DAV: 14 -0.913012639989E+02 -0.36776E-02 -0.11943E-03 751 0.256E-01 0.546E-02
DAV: 15 -0.913022975010E+02 -0.10335E-02 -0.41163E-04 704 0.128E-01 0.399E-02
DAV: 16 -0.913033068349E+02 -0.10093E-02 -0.22798E-04 693 0.830E-02 0.131E-02
DAV: 17 -0.913042061681E+02 -0.89933E-03 -0.13452E-04 725 0.591E-02 0.158E-02
DAV: 18 -0.913044813091E+02 -0.27514E-03 -0.28594E-05 560 0.353E-02 0.717E-03
DAV: 19 -0.913045905033E+02 -0.10919E-03 -0.28181E-05 600 0.254E-02 0.496E-03
DAV: 20 -0.913046097300E+02 -0.19227E-04 -0.15025E-06 520 0.926E-03 0.286E-03
DAV: 21 -0.913046351483E+02 -0.25418E-04 -0.43840E-06 418 0.118E-02 0.119E-03
DAV: 22 -0.913046415301E+02 -0.63818E-05 -0.99346E-07 480 0.456E-03
1 F= -.91304642E+02 E0= -.91309279E+02 d E =0.139124E-01