./iterations/neb0_image06_iter172_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 0.370940204722E+03 0.37094E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.332685611160E+01 -0.36761E+03 -0.35578E+03 877 0.193E+02
DAV: 3 -0.959383152219E+02 -0.99265E+02 -0.98934E+02 674 0.116E+02
DAV: 4 -0.100528808379E+03 -0.45905E+01 -0.45766E+01 720 0.281E+01
DAV: 5 -0.100619963465E+03 -0.91155E-01 -0.91109E-01 736 0.355E+00 0.226E+01
DAV: 6 -0.920651345073E+02 0.85548E+01 -0.30611E+01 717 0.302E+01 0.118E+01
DAV: 7 -0.912391071321E+02 0.82603E+00 -0.17229E+00 712 0.626E+00 0.480E+00
DAV: 8 -0.908636652582E+02 0.37544E+00 -0.54115E-01 720 0.408E+00 0.167E+00
DAV: 9 -0.907745560517E+02 0.89109E-01 -0.12964E-01 720 0.159E+00 0.421E-01
DAV: 10 -0.907645235514E+02 0.10033E-01 -0.35648E-02 752 0.944E-01 0.281E-01
DAV: 11 -0.907686204819E+02 -0.40969E-02 -0.92324E-03 610 0.498E-01 0.143E-01
DAV: 12 -0.907712409650E+02 -0.26205E-02 -0.19862E-03 634 0.264E-01 0.822E-02
DAV: 13 -0.907753094573E+02 -0.40685E-02 -0.18995E-03 636 0.207E-01 0.685E-02
DAV: 14 -0.907780564740E+02 -0.27470E-02 -0.91304E-04 800 0.227E-01 0.369E-02
DAV: 15 -0.907803818305E+02 -0.23254E-02 -0.41337E-04 634 0.101E-01 0.427E-02
DAV: 16 -0.907816178683E+02 -0.12360E-02 -0.26837E-04 712 0.106E-01 0.183E-02
DAV: 17 -0.907824968398E+02 -0.87897E-03 -0.16964E-04 698 0.644E-02 0.160E-02
DAV: 18 -0.907827624981E+02 -0.26566E-03 -0.21448E-05 520 0.247E-02 0.995E-03
DAV: 19 -0.907829027926E+02 -0.14029E-03 -0.31251E-05 540 0.294E-02 0.331E-03
DAV: 20 -0.907829116200E+02 -0.88274E-05 -0.36071E-06 544 0.107E-02
1 F= -.90782912E+02 E0= -.90788160E+02 d E =0.157464E-01