./iterations/neb0_image06_iter131_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 0.374399831861E+03 0.37440E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.384172848582E+01 -0.37056E+03 -0.35860E+03 882 0.194E+02
DAV: 3 -0.957422188651E+02 -0.99584E+02 -0.99265E+02 680 0.116E+02
DAV: 4 -0.100291577150E+03 -0.45494E+01 -0.45347E+01 712 0.281E+01
DAV: 5 -0.100383899755E+03 -0.92323E-01 -0.92278E-01 741 0.355E+00 0.225E+01
DAV: 6 -0.918608800079E+02 0.85230E+01 -0.30800E+01 704 0.304E+01 0.117E+01
DAV: 7 -0.910576324661E+02 0.80325E+00 -0.17103E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.906804463734E+02 0.37719E+00 -0.52826E-01 728 0.404E+00 0.167E+00
DAV: 9 -0.905885569184E+02 0.91889E-01 -0.13302E-01 728 0.162E+00 0.422E-01
DAV: 10 -0.905784199114E+02 0.10137E-01 -0.39231E-02 752 0.101E+00 0.288E-01
DAV: 11 -0.905824565142E+02 -0.40366E-02 -0.97313E-03 605 0.528E-01 0.148E-01
DAV: 12 -0.905848747456E+02 -0.24182E-02 -0.19967E-03 639 0.254E-01 0.939E-02
DAV: 13 -0.905892148967E+02 -0.43402E-02 -0.16352E-03 644 0.216E-01 0.583E-02
DAV: 14 -0.905917160944E+02 -0.25012E-02 -0.45697E-04 888 0.154E-01 0.294E-02
DAV: 15 -0.905943005952E+02 -0.25845E-02 -0.33856E-04 629 0.872E-02 0.291E-02
DAV: 16 -0.905955883885E+02 -0.12878E-02 -0.12945E-04 709 0.600E-02 0.145E-02
DAV: 17 -0.905964138811E+02 -0.82549E-03 -0.10400E-04 634 0.480E-02 0.114E-02
DAV: 18 -0.905966545691E+02 -0.24069E-03 -0.18648E-05 520 0.264E-02 0.523E-03
DAV: 19 -0.905968081929E+02 -0.15362E-03 -0.30202E-05 546 0.229E-02 0.565E-03
DAV: 20 -0.905968181619E+02 -0.99690E-05 -0.20784E-06 536 0.133E-02
1 F= -.90596818E+02 E0= -.90600947E+02 d E =0.123855E-01