iterations/neb0_image04_iter8_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 0.358038667242E+03 0.35804E+03 -0.14247E+04 632 0.799E+02
DAV: 2 0.545497415791E+01 -0.35258E+03 -0.34032E+03 842 0.192E+02
DAV: 3 -0.922349965213E+02 -0.97690E+02 -0.97193E+02 688 0.115E+02
DAV: 4 -0.969609934294E+02 -0.47260E+01 -0.47101E+01 688 0.278E+01
DAV: 5 -0.970642841055E+02 -0.10329E+00 -0.10324E+00 728 0.361E+00 0.213E+01
DAV: 6 -0.886621107873E+02 0.84022E+01 -0.31398E+01 720 0.300E+01 0.110E+01
DAV: 7 -0.879274771323E+02 0.73463E+00 -0.16204E+00 728 0.677E+00 0.477E+00
DAV: 8 -0.875632776706E+02 0.36420E+00 -0.66523E-01 712 0.448E+00 0.167E+00
DAV: 9 -0.874844003423E+02 0.78877E-01 -0.14035E-01 704 0.182E+00 0.476E-01
DAV: 10 -0.874772878201E+02 0.71125E-02 -0.25962E-02 760 0.824E-01 0.287E-01
DAV: 11 -0.874794328401E+02 -0.21450E-02 -0.10866E-02 608 0.617E-01 0.148E-01
DAV: 12 -0.874812525493E+02 -0.18197E-02 -0.20280E-03 744 0.309E-01 0.107E-01
DAV: 13 -0.874861302425E+02 -0.48777E-02 -0.43967E-03 695 0.432E-01 0.982E-02
DAV: 14 -0.874883014768E+02 -0.21712E-02 -0.11850E-03 952 0.243E-01 0.444E-02
DAV: 15 -0.874906437614E+02 -0.23423E-02 -0.10733E-03 663 0.195E-01 0.594E-02
DAV: 16 -0.874918494252E+02 -0.12057E-02 -0.40938E-04 933 0.152E-01 0.275E-02
DAV: 17 -0.874925348035E+02 -0.68538E-03 -0.24895E-04 728 0.951E-02 0.175E-02
DAV: 18 -0.874932306365E+02 -0.69583E-03 -0.75141E-05 647 0.375E-02 0.157E-02
DAV: 19 -0.874934012817E+02 -0.17065E-03 -0.28850E-05 637 0.355E-02 0.512E-03
DAV: 20 -0.874935467166E+02 -0.14543E-03 -0.22776E-05 502 0.227E-02 0.436E-03
DAV: 21 -0.874935916238E+02 -0.44907E-04 -0.57995E-06 485 0.968E-03 0.397E-03
DAV: 22 -0.874936057856E+02 -0.14162E-04 -0.30694E-06 488 0.103E-02 0.199E-03
DAV: 23 -0.874936088202E+02 -0.30347E-05 -0.22155E-06 456 0.837E-03
1 F= -.87493609E+02 E0= -.87497476E+02 d E =0.116011E-01