./iterations/neb0_image01_iter190_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 0.365541294914E+03 0.36554E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.316850366319E+01 -0.36237E+03 -0.34939E+03 842 0.196E+02
DAV: 3 -0.955921222262E+02 -0.98761E+02 -0.98411E+02 669 0.116E+02
DAV: 4 -0.100218043841E+03 -0.46259E+01 -0.46151E+01 680 0.287E+01
DAV: 5 -0.100311349587E+03 -0.93306E-01 -0.93254E-01 736 0.363E+00 0.222E+01
DAV: 6 -0.916855267234E+02 0.86258E+01 -0.30970E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908835872252E+02 0.80194E+00 -0.18314E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905087412858E+02 0.37485E+00 -0.55214E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904265890730E+02 0.82152E-01 -0.13173E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904220616661E+02 0.45274E-02 -0.47159E-02 720 0.124E+00 0.323E-01
DAV: 11 -0.904262783817E+02 -0.42167E-02 -0.82844E-03 608 0.599E-01 0.117E-01
DAV: 12 -0.904295160470E+02 -0.32377E-02 -0.62599E-03 626 0.429E-01 0.131E-01
DAV: 13 -0.904320068459E+02 -0.24908E-02 -0.15966E-03 853 0.307E-01 0.760E-02
DAV: 14 -0.904352677961E+02 -0.32610E-02 -0.15462E-03 642 0.202E-01 0.726E-02
DAV: 15 -0.904367446820E+02 -0.14769E-02 -0.27833E-04 728 0.116E-01 0.560E-02
DAV: 16 -0.904381234612E+02 -0.13788E-02 -0.11721E-03 661 0.211E-01 0.404E-02
DAV: 17 -0.904389331941E+02 -0.80973E-03 -0.15154E-04 672 0.851E-02 0.344E-02
DAV: 18 -0.904392425023E+02 -0.30931E-03 -0.67115E-05 688 0.402E-02 0.220E-02
DAV: 19 -0.904394524363E+02 -0.20993E-03 -0.12712E-04 628 0.665E-02 0.104E-02
DAV: 20 -0.904394771260E+02 -0.24690E-04 -0.14691E-05 536 0.244E-02 0.104E-02
DAV: 21 -0.904395150207E+02 -0.37895E-04 -0.85050E-06 404 0.171E-02 0.765E-03
DAV: 22 -0.904395310511E+02 -0.16030E-04 -0.51489E-06 480 0.181E-02 0.382E-03
DAV: 23 -0.904395363504E+02 -0.52992E-05 -0.78788E-06 458 0.158E-02
1 F= -.90439536E+02 E0= -.90445549E+02 d E =0.180367E-01