iterations/neb0_image07_iter187_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 0.371656547521E+03 0.37166E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.336516983554E+01 -0.36829E+03 -0.35571E+03 869 0.194E+02
DAV: 3 -0.964779851484E+02 -0.99843E+02 -0.99522E+02 680 0.116E+02
DAV: 4 -0.101084930355E+03 -0.46069E+01 -0.45950E+01 696 0.283E+01
DAV: 5 -0.101179237704E+03 -0.94307E-01 -0.94246E-01 728 0.362E+00 0.227E+01
DAV: 6 -0.925738791065E+02 0.86054E+01 -0.30533E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917183085679E+02 0.85557E+00 -0.17347E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.913473357983E+02 0.37097E+00 -0.52829E-01 728 0.395E+00 0.164E+00
DAV: 9 -0.912659613039E+02 0.81374E-01 -0.13133E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912575651143E+02 0.83962E-02 -0.41976E-02 741 0.108E+00 0.294E-01
DAV: 11 -0.912618454481E+02 -0.42803E-02 -0.11888E-02 616 0.574E-01 0.140E-01
DAV: 12 -0.912646192666E+02 -0.27738E-02 -0.24355E-03 626 0.255E-01 0.920E-02
DAV: 13 -0.912685933399E+02 -0.39741E-02 -0.16590E-03 634 0.205E-01 0.514E-02
DAV: 14 -0.912712719508E+02 -0.26786E-02 -0.59752E-04 800 0.191E-01 0.380E-02
DAV: 15 -0.912732137112E+02 -0.19418E-02 -0.41132E-04 655 0.104E-01 0.322E-02
DAV: 16 -0.912741446663E+02 -0.93096E-03 -0.12504E-04 752 0.655E-02 0.132E-02
DAV: 17 -0.912750122207E+02 -0.86755E-03 -0.13137E-04 722 0.586E-02 0.144E-02
DAV: 18 -0.912752348907E+02 -0.22267E-03 -0.27371E-05 624 0.373E-02 0.684E-03
DAV: 19 -0.912753075242E+02 -0.72633E-04 -0.17572E-05 504 0.236E-02 0.609E-03
DAV: 20 -0.912753672164E+02 -0.59692E-04 -0.64697E-06 436 0.147E-02 0.316E-03
DAV: 21 -0.912753866072E+02 -0.19391E-04 -0.39119E-06 480 0.119E-02 0.155E-03
DAV: 22 -0.912753988856E+02 -0.12278E-04 -0.14044E-06 409 0.657E-03 0.783E-04
DAV: 23 -0.912754034277E+02 -0.45421E-05 -0.94924E-07 461 0.411E-03
1 F= -.91275403E+02 E0= -.91280730E+02 d E =0.159783E-01