iterations/neb0_image05_iter203_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 0.368992552890E+03 0.36899E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.434783268338E+01 -0.36464E+03 -0.35102E+03 848 0.195E+02
DAV: 3 -0.954713072973E+02 -0.99819E+02 -0.99486E+02 669 0.117E+02
DAV: 4 -0.100072507382E+03 -0.46012E+01 -0.45906E+01 696 0.287E+01
DAV: 5 -0.100163805331E+03 -0.91298E-01 -0.91255E-01 725 0.360E+00 0.222E+01
DAV: 6 -0.915871828937E+02 0.85766E+01 -0.30863E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.907846862414E+02 0.80250E+00 -0.18273E+00 728 0.630E+00 0.482E+00
DAV: 8 -0.904111641458E+02 0.37352E+00 -0.52997E-01 704 0.423E+00 0.169E+00
DAV: 9 -0.903243491608E+02 0.86815E-01 -0.13985E-01 712 0.173E+00 0.437E-01
DAV: 10 -0.903174946144E+02 0.68545E-02 -0.44283E-02 736 0.126E+00 0.313E-01
DAV: 11 -0.903207389257E+02 -0.32443E-02 -0.71943E-03 613 0.546E-01 0.139E-01
DAV: 12 -0.903232928963E+02 -0.25540E-02 -0.61391E-03 610 0.472E-01 0.116E-01
DAV: 13 -0.903260936138E+02 -0.28007E-02 -0.12060E-03 744 0.269E-01 0.775E-02
DAV: 14 -0.903294593428E+02 -0.33657E-02 -0.17209E-03 644 0.193E-01 0.634E-02
DAV: 15 -0.903317232692E+02 -0.22639E-02 -0.52313E-04 816 0.163E-01 0.369E-02
DAV: 16 -0.903334162454E+02 -0.16930E-02 -0.73494E-04 672 0.149E-01 0.415E-02
DAV: 17 -0.903342149247E+02 -0.79868E-03 -0.18202E-04 861 0.924E-02 0.244E-02
DAV: 18 -0.903343077920E+02 -0.92867E-04 -0.53567E-05 720 0.391E-02 0.128E-02
DAV: 19 -0.903346013017E+02 -0.29351E-03 -0.52268E-05 642 0.412E-02 0.767E-03
DAV: 20 -0.903347116447E+02 -0.11034E-03 -0.90828E-06 488 0.178E-02 0.542E-03
DAV: 21 -0.903347651704E+02 -0.53526E-04 -0.97678E-06 445 0.157E-02 0.289E-03
DAV: 22 -0.903347848936E+02 -0.19723E-04 -0.46033E-06 466 0.123E-02 0.238E-03
DAV: 23 -0.903347884068E+02 -0.35132E-05 -0.10714E-06 480 0.595E-03
1 F= -.90334788E+02 E0= -.90341006E+02 d E =0.186516E-01