./iterations/neb0_image02_iter136_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 0.364356493592E+03 0.36436E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.380227726890E+01 -0.36055E+03 -0.34625E+03 837 0.195E+02
DAV: 3 -0.955240789420E+02 -0.99326E+02 -0.98990E+02 664 0.116E+02
DAV: 4 -0.100215778150E+03 -0.46917E+01 -0.46800E+01 720 0.289E+01
DAV: 5 -0.100306891513E+03 -0.91113E-01 -0.91071E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916719226736E+02 0.86350E+01 -0.30995E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908595285276E+02 0.81239E+00 -0.18585E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904768489954E+02 0.38268E+00 -0.55499E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903879195826E+02 0.88929E-01 -0.13931E-01 704 0.167E+00 0.432E-01
DAV: 10 -0.903820995937E+02 0.58200E-02 -0.50244E-02 704 0.132E+00 0.329E-01
DAV: 11 -0.903855948102E+02 -0.34952E-02 -0.73638E-03 608 0.517E-01 0.149E-01
DAV: 12 -0.903890527987E+02 -0.34580E-02 -0.84367E-03 632 0.504E-01 0.141E-01
DAV: 13 -0.903916843723E+02 -0.26316E-02 -0.20059E-03 920 0.368E-01 0.834E-02
DAV: 14 -0.903947378675E+02 -0.30535E-02 -0.14105E-03 637 0.179E-01 0.649E-02
DAV: 15 -0.903969294492E+02 -0.21916E-02 -0.39807E-04 664 0.108E-01 0.498E-02
DAV: 16 -0.903984190815E+02 -0.14896E-02 -0.82536E-04 661 0.168E-01 0.340E-02
DAV: 17 -0.903992791497E+02 -0.86007E-03 -0.14898E-04 661 0.821E-02 0.251E-02
DAV: 18 -0.903994932237E+02 -0.21407E-03 -0.71244E-05 672 0.416E-02 0.107E-02
DAV: 19 -0.903996649594E+02 -0.17174E-03 -0.38305E-05 626 0.319E-02 0.582E-03
DAV: 20 -0.903997002341E+02 -0.35275E-04 -0.45898E-06 480 0.178E-02 0.593E-03
DAV: 21 -0.903997232604E+02 -0.23026E-04 -0.60237E-06 461 0.141E-02 0.640E-03
DAV: 22 -0.903997516911E+02 -0.28431E-04 -0.50250E-06 428 0.148E-02 0.291E-03
DAV: 23 -0.903997557890E+02 -0.40979E-05 -0.70387E-06 504 0.146E-02
1 F= -.90399756E+02 E0= -.90405590E+02 d E =0.175033E-01