iterations/neb0_image02_iter7_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 0.364377150268E+03 0.36438E+03 -0.14264E+04 624 0.799E+02
DAV: 2 0.346293672855E+01 -0.36091E+03 -0.34800E+03 847 0.194E+02
DAV: 3 -0.949223756291E+02 -0.98385E+02 -0.98046E+02 680 0.116E+02
DAV: 4 -0.994348541294E+02 -0.45125E+01 -0.44896E+01 704 0.278E+01
DAV: 5 -0.995263854397E+02 -0.91531E-01 -0.91476E-01 736 0.352E+00 0.221E+01
DAV: 6 -0.908616207888E+02 0.86648E+01 -0.31229E+01 712 0.300E+01 0.115E+01
DAV: 7 -0.900514865698E+02 0.81013E+00 -0.17893E+00 712 0.656E+00 0.485E+00
DAV: 8 -0.896631316257E+02 0.38835E+00 -0.62687E-01 720 0.457E+00 0.167E+00
DAV: 9 -0.895779147327E+02 0.85217E-01 -0.13306E-01 720 0.168E+00 0.445E-01
DAV: 10 -0.895712338929E+02 0.66808E-02 -0.40800E-02 712 0.107E+00 0.323E-01
DAV: 11 -0.895750277026E+02 -0.37938E-02 -0.80202E-03 688 0.598E-01 0.114E-01
DAV: 12 -0.895776361879E+02 -0.26085E-02 -0.37693E-03 637 0.281E-01 0.114E-01
DAV: 13 -0.895815009208E+02 -0.38647E-02 -0.24303E-03 814 0.360E-01 0.786E-02
DAV: 14 -0.895840095470E+02 -0.25086E-02 -0.76724E-04 664 0.142E-01 0.565E-02
DAV: 15 -0.895861217062E+02 -0.21122E-02 -0.76099E-04 680 0.174E-01 0.323E-02
DAV: 16 -0.895872901404E+02 -0.11684E-02 -0.16715E-04 680 0.830E-02 0.247E-02
DAV: 17 -0.895880560302E+02 -0.76589E-03 -0.13958E-04 784 0.692E-02 0.137E-02
DAV: 18 -0.895885424678E+02 -0.48644E-03 -0.83296E-05 677 0.437E-02 0.119E-02
DAV: 19 -0.895887269176E+02 -0.18445E-03 -0.23244E-05 549 0.359E-02 0.486E-03
DAV: 20 -0.895888215805E+02 -0.94663E-04 -0.14941E-05 445 0.185E-02 0.446E-03
DAV: 21 -0.895888667429E+02 -0.45162E-04 -0.73323E-06 482 0.126E-02 0.257E-03
DAV: 22 -0.895888815757E+02 -0.14833E-04 -0.36176E-06 448 0.105E-02 0.238E-03
DAV: 23 -0.895888841280E+02 -0.25524E-05 -0.85462E-07 520 0.574E-03
1 F= -.89588884E+02 E0= -.89596614E+02 d E =0.231909E-01