./iterations/neb0_image04_iter268_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 0.366933304200E+03 0.36693E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.592813656880E+00 -0.36634E+03 -0.35521E+03 858 0.195E+02
DAV: 3 -0.960445124959E+02 -0.96637E+02 -0.96343E+02 656 0.116E+02
DAV: 4 -0.100371362748E+03 -0.43269E+01 -0.43174E+01 704 0.280E+01
DAV: 5 -0.100456254806E+03 -0.84892E-01 -0.84864E-01 736 0.350E+00 0.224E+01
DAV: 6 -0.917031374235E+02 0.87531E+01 -0.31341E+01 682 0.299E+01 0.118E+01
DAV: 7 -0.908405863648E+02 0.86255E+00 -0.18253E+00 720 0.658E+00 0.486E+00
DAV: 8 -0.904308122689E+02 0.40977E+00 -0.54583E-01 704 0.460E+00 0.181E+00
DAV: 9 -0.903400278511E+02 0.90784E-01 -0.15332E-01 736 0.221E+00 0.601E-01
DAV: 10 -0.903237642907E+02 0.16264E-01 -0.40147E-02 712 0.105E+00 0.358E-01
DAV: 11 -0.903253977539E+02 -0.16335E-02 -0.14610E-02 720 0.625E-01 0.250E-01
DAV: 12 -0.903280527375E+02 -0.26550E-02 -0.30774E-03 680 0.486E-01 0.138E-01
DAV: 13 -0.903314142334E+02 -0.33615E-02 -0.31398E-03 642 0.373E-01 0.117E-01
DAV: 14 -0.903345248678E+02 -0.31106E-02 -0.17042E-03 687 0.277E-01 0.504E-02
DAV: 15 -0.903374316558E+02 -0.29068E-02 -0.87211E-04 640 0.141E-01 0.509E-02
DAV: 16 -0.903393082175E+02 -0.18766E-02 -0.43775E-04 808 0.162E-01 0.274E-02
DAV: 17 -0.903407857665E+02 -0.14775E-02 -0.33858E-04 652 0.898E-02 0.374E-02
DAV: 18 -0.903412366141E+02 -0.45085E-03 -0.69044E-05 744 0.690E-02 0.187E-02
DAV: 19 -0.903415937277E+02 -0.35711E-03 -0.20269E-04 646 0.848E-02 0.185E-02
DAV: 20 -0.903416949605E+02 -0.10123E-03 -0.20359E-05 616 0.359E-02 0.113E-02
DAV: 21 -0.903417546684E+02 -0.59708E-04 -0.18859E-05 511 0.230E-02 0.438E-03
DAV: 22 -0.903417961614E+02 -0.41493E-04 -0.89915E-06 445 0.166E-02 0.202E-03
DAV: 23 -0.903418033498E+02 -0.71884E-05 -0.27401E-06 512 0.805E-03
1 F= -.90341803E+02 E0= -.90350003E+02 d E =0.245987E-01