./iterations/neb0_image08_iter52_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 0.375180034759E+03 0.37518E+03 -0.14273E+04 624 0.799E+02
DAV: 2 0.374871807955E+01 -0.37143E+03 -0.35778E+03 869 0.196E+02
DAV: 3 -0.965311249819E+02 -0.10028E+03 -0.99947E+02 680 0.117E+02
DAV: 4 -0.100992948445E+03 -0.44618E+01 -0.44518E+01 688 0.280E+01
DAV: 5 -0.101082027894E+03 -0.89079E-01 -0.89039E-01 736 0.355E+00 0.226E+01
DAV: 6 -0.925234956618E+02 0.85585E+01 -0.30779E+01 701 0.302E+01 0.118E+01
DAV: 7 -0.916767639164E+02 0.84673E+00 -0.16685E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.912999299063E+02 0.37683E+00 -0.55701E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912163914045E+02 0.83539E-01 -0.12744E-01 704 0.153E+00 0.423E-01
DAV: 10 -0.912068957206E+02 0.94957E-02 -0.47685E-02 720 0.111E+00 0.310E-01
DAV: 11 -0.912119416710E+02 -0.50460E-02 -0.14936E-02 608 0.626E-01 0.167E-01
DAV: 12 -0.912147168743E+02 -0.27752E-02 -0.32242E-03 641 0.246E-01 0.134E-01
DAV: 13 -0.912187558270E+02 -0.40390E-02 -0.27314E-03 680 0.298E-01 0.544E-02
DAV: 14 -0.912215577637E+02 -0.28019E-02 -0.47497E-04 664 0.114E-01 0.401E-02
DAV: 15 -0.912237697968E+02 -0.22120E-02 -0.20479E-04 653 0.606E-02 0.301E-02
DAV: 16 -0.912247688671E+02 -0.99907E-03 -0.28246E-04 669 0.808E-02 0.215E-02
DAV: 17 -0.912251128067E+02 -0.34394E-03 -0.36782E-05 629 0.375E-02 0.134E-02
DAV: 18 -0.912253399965E+02 -0.22719E-03 -0.42848E-05 570 0.286E-02 0.685E-03
DAV: 19 -0.912253722709E+02 -0.32274E-04 -0.55088E-06 528 0.189E-02 0.311E-03
DAV: 20 -0.912254062452E+02 -0.33974E-04 -0.73833E-06 398 0.153E-02 0.413E-03
DAV: 21 -0.912254233386E+02 -0.17093E-04 -0.19117E-06 469 0.727E-03 0.332E-03
DAV: 22 -0.912254282428E+02 -0.49042E-05 -0.28009E-06 442 0.116E-02
1 F= -.91225428E+02 E0= -.91230394E+02 d E =0.148988E-01