iterations/neb0_image07_iter260_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 0.371781340404E+03 0.37178E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.382312466579E+01 -0.36796E+03 -0.35623E+03 866 0.194E+02
DAV: 3 -0.966764095095E+02 -0.10050E+03 -0.10018E+03 693 0.116E+02
DAV: 4 -0.101198234221E+03 -0.45218E+01 -0.45104E+01 696 0.280E+01
DAV: 5 -0.101287274814E+03 -0.89041E-01 -0.88988E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926233077398E+02 0.86640E+01 -0.30907E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917648167073E+02 0.85849E+00 -0.17280E+00 728 0.616E+00 0.481E+00
DAV: 8 -0.913888151383E+02 0.37600E+00 -0.53943E-01 736 0.395E+00 0.162E+00
DAV: 9 -0.913066276234E+02 0.82188E-01 -0.13006E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912975348921E+02 0.90927E-02 -0.42925E-02 749 0.105E+00 0.296E-01
DAV: 11 -0.913021613750E+02 -0.46265E-02 -0.13412E-02 608 0.599E-01 0.153E-01
DAV: 12 -0.913051555258E+02 -0.29942E-02 -0.28907E-03 623 0.265E-01 0.914E-02
DAV: 13 -0.913087884788E+02 -0.36330E-02 -0.14865E-03 639 0.186E-01 0.499E-02
DAV: 14 -0.913124994057E+02 -0.37109E-02 -0.11298E-03 711 0.239E-01 0.529E-02
DAV: 15 -0.913136320000E+02 -0.11326E-02 -0.40755E-04 696 0.119E-01 0.368E-02
DAV: 16 -0.913143989157E+02 -0.76692E-03 -0.17973E-04 720 0.802E-02 0.131E-02
DAV: 17 -0.913153326954E+02 -0.93378E-03 -0.15469E-04 722 0.670E-02 0.175E-02
DAV: 18 -0.913155723485E+02 -0.23965E-03 -0.28797E-05 616 0.374E-02 0.843E-03
DAV: 19 -0.913156819505E+02 -0.10960E-03 -0.28516E-05 584 0.270E-02 0.433E-03
DAV: 20 -0.913157190996E+02 -0.37149E-04 -0.26929E-06 488 0.109E-02 0.226E-03
DAV: 21 -0.913157418874E+02 -0.22788E-04 -0.27523E-06 440 0.784E-03 0.854E-04
DAV: 22 -0.913157521666E+02 -0.10279E-04 -0.10260E-06 453 0.375E-03 0.456E-04
DAV: 23 -0.913157539516E+02 -0.17851E-05 -0.26821E-07 488 0.179E-03
1 F= -.91315754E+02 E0= -.91320652E+02 d E =0.146943E-01