iterations/neb0_image09_iter126_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 0.374382347415E+03 0.37438E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.245758537103E+01 -0.37192E+03 -0.35962E+03 877 0.196E+02
DAV: 3 -0.966849695924E+02 -0.99143E+02 -0.98806E+02 656 0.117E+02
DAV: 4 -0.101222755004E+03 -0.45378E+01 -0.45282E+01 704 0.289E+01
DAV: 5 -0.101312356635E+03 -0.89602E-01 -0.89563E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926668512333E+02 0.86455E+01 -0.30874E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918041401218E+02 0.86271E+00 -0.17089E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914282432035E+02 0.37590E+00 -0.54321E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913460046033E+02 0.82239E-01 -0.13081E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913372358330E+02 0.87688E-02 -0.45517E-02 784 0.111E+00 0.303E-01
DAV: 11 -0.913416838412E+02 -0.44480E-02 -0.12978E-02 621 0.594E-01 0.143E-01
DAV: 12 -0.913445899317E+02 -0.29061E-02 -0.29238E-03 626 0.243E-01 0.109E-01
DAV: 13 -0.913484157104E+02 -0.38258E-02 -0.14650E-03 677 0.205E-01 0.444E-02
DAV: 14 -0.913518760144E+02 -0.34603E-02 -0.65194E-04 672 0.144E-01 0.339E-02
DAV: 15 -0.913531140119E+02 -0.12380E-02 -0.12663E-04 696 0.744E-02 0.335E-02
DAV: 16 -0.913545003148E+02 -0.13863E-02 -0.34606E-04 641 0.955E-02 0.193E-02
DAV: 17 -0.913548389666E+02 -0.33865E-03 -0.55801E-05 688 0.553E-02 0.121E-02
DAV: 18 -0.913550843439E+02 -0.24538E-03 -0.46457E-05 562 0.324E-02 0.112E-02
DAV: 19 -0.913551765635E+02 -0.92220E-04 -0.10745E-05 480 0.185E-02 0.554E-03
DAV: 20 -0.913552090278E+02 -0.32464E-04 -0.10628E-05 448 0.206E-02 0.225E-03
DAV: 21 -0.913552295521E+02 -0.20524E-04 -0.46393E-06 439 0.106E-02 0.311E-03
DAV: 22 -0.913552335113E+02 -0.39592E-05 -0.77425E-07 496 0.441E-03
1 F= -.91355234E+02 E0= -.91360002E+02 d E =0.143066E-01