iterations/neb0_image06_iter272_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 0.372461442672E+03 0.37246E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.486427334409E+01 -0.36760E+03 -0.35575E+03 853 0.194E+02
DAV: 3 -0.949331741099E+02 -0.99797E+02 -0.99394E+02 704 0.116E+02
DAV: 4 -0.993081996205E+02 -0.43750E+01 -0.43593E+01 704 0.271E+01
DAV: 5 -0.993987697732E+02 -0.90570E-01 -0.90522E-01 736 0.345E+00 0.221E+01
DAV: 6 -0.910258372239E+02 0.83729E+01 -0.29754E+01 704 0.303E+01 0.116E+01
DAV: 7 -0.902270756707E+02 0.79876E+00 -0.16757E+00 704 0.632E+00 0.479E+00
DAV: 8 -0.898525252358E+02 0.37455E+00 -0.56866E-01 712 0.418E+00 0.163E+00
DAV: 9 -0.897647039653E+02 0.87821E-01 -0.12478E-01 704 0.165E+00 0.437E-01
DAV: 10 -0.897550413679E+02 0.96626E-02 -0.35056E-02 749 0.913E-01 0.297E-01
DAV: 11 -0.897589946432E+02 -0.39533E-02 -0.14397E-02 608 0.696E-01 0.202E-01
DAV: 12 -0.897595288789E+02 -0.53424E-03 -0.43523E-03 688 0.425E-01 0.104E-01
DAV: 13 -0.897643348656E+02 -0.48060E-02 -0.42350E-03 590 0.376E-01 0.105E-01
DAV: 14 -0.897658613719E+02 -0.15265E-02 -0.57123E-04 728 0.183E-01 0.585E-02
DAV: 15 -0.897692081729E+02 -0.33468E-02 -0.16987E-03 635 0.249E-01 0.551E-02
DAV: 16 -0.897709276774E+02 -0.17195E-02 -0.44958E-04 864 0.161E-01 0.219E-02
DAV: 17 -0.897718793862E+02 -0.95171E-03 -0.16977E-04 674 0.605E-02 0.132E-02
DAV: 18 -0.897725137200E+02 -0.63433E-03 -0.83816E-05 641 0.393E-02 0.138E-02
DAV: 19 -0.897726225211E+02 -0.10880E-03 -0.99794E-06 512 0.286E-02 0.700E-03
DAV: 20 -0.897727264680E+02 -0.10395E-03 -0.48763E-05 528 0.380E-02 0.886E-03
DAV: 21 -0.897727444200E+02 -0.17952E-04 -0.57243E-06 480 0.211E-02 0.410E-03
DAV: 22 -0.897727584474E+02 -0.14027E-04 -0.63179E-06 398 0.131E-02 0.108E-03
DAV: 23 -0.897727655965E+02 -0.71490E-05 -0.20191E-06 471 0.702E-03
1 F= -.89772766E+02 E0= -.89777467E+02 d E =0.141047E-01