./iterations/neb0_image03_iter252_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 0.363060248818E+03 0.36306E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.899990934471E+00 -0.36216E+03 -0.35187E+03 842 0.195E+02
DAV: 3 -0.960329475756E+02 -0.96933E+02 -0.96624E+02 669 0.115E+02
DAV: 4 -0.100284838249E+03 -0.42519E+01 -0.42417E+01 712 0.277E+01
DAV: 5 -0.100367412650E+03 -0.82574E-01 -0.82547E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.917124266406E+02 0.86550E+01 -0.31323E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908772231599E+02 0.83520E+00 -0.17909E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904868511534E+02 0.39037E+00 -0.55345E-01 696 0.425E+00 0.169E+00
DAV: 9 -0.903952685881E+02 0.91583E-01 -0.13205E-01 720 0.166E+00 0.434E-01
DAV: 10 -0.903889383506E+02 0.63302E-02 -0.47321E-02 704 0.119E+00 0.333E-01
DAV: 11 -0.903935154455E+02 -0.45771E-02 -0.85591E-03 640 0.645E-01 0.120E-01
DAV: 12 -0.903963920135E+02 -0.28766E-02 -0.46367E-03 632 0.320E-01 0.115E-01
DAV: 13 -0.904007599814E+02 -0.43680E-02 -0.16752E-03 767 0.278E-01 0.883E-02
DAV: 14 -0.904037199563E+02 -0.29600E-02 -0.10564E-03 664 0.148E-01 0.508E-02
DAV: 15 -0.904060941766E+02 -0.23742E-02 -0.40299E-04 658 0.101E-01 0.256E-02
DAV: 16 -0.904073890311E+02 -0.12949E-02 -0.22929E-04 672 0.745E-02 0.210E-02
DAV: 17 -0.904080791027E+02 -0.69007E-03 -0.98001E-05 690 0.562E-02 0.103E-02
DAV: 18 -0.904083104137E+02 -0.23131E-03 -0.45657E-05 624 0.344E-02 0.116E-02
DAV: 19 -0.904083691956E+02 -0.58782E-04 -0.10445E-05 472 0.249E-02 0.503E-03
DAV: 20 -0.904084430771E+02 -0.73882E-04 -0.18559E-05 495 0.226E-02 0.452E-03
DAV: 21 -0.904084828275E+02 -0.39750E-04 -0.62409E-06 477 0.178E-02 0.219E-03
DAV: 22 -0.904084906063E+02 -0.77788E-05 -0.27017E-06 536 0.774E-03
1 F= -.90408491E+02 E0= -.90416219E+02 d E =0.231840E-01