./iterations/neb0_image08_iter282_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 0.374621110246E+03 0.37462E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.424591271949E+01 -0.37038E+03 -0.35807E+03 869 0.196E+02
DAV: 3 -0.963400874490E+02 -0.10059E+03 -0.10025E+03 648 0.117E+02
DAV: 4 -0.101228916266E+03 -0.48888E+01 -0.48775E+01 712 0.301E+01
DAV: 5 -0.101325811523E+03 -0.96895E-01 -0.96855E-01 720 0.384E+00 0.227E+01
DAV: 6 -0.926577609213E+02 0.86681E+01 -0.30770E+01 717 0.299E+01 0.119E+01
DAV: 7 -0.917869513562E+02 0.87081E+00 -0.17032E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914124978005E+02 0.37445E+00 -0.55032E-01 728 0.401E+00 0.161E+00
DAV: 9 -0.913330744322E+02 0.79423E-01 -0.12860E-01 736 0.154E+00 0.420E-01
DAV: 10 -0.913246688166E+02 0.84056E-02 -0.44639E-02 733 0.108E+00 0.304E-01
DAV: 11 -0.913294478662E+02 -0.47790E-02 -0.14050E-02 608 0.608E-01 0.154E-01
DAV: 12 -0.913324191118E+02 -0.29712E-02 -0.28504E-03 634 0.232E-01 0.111E-01
DAV: 13 -0.913362049068E+02 -0.37858E-02 -0.25574E-03 639 0.265E-01 0.554E-02
DAV: 14 -0.913394542560E+02 -0.32493E-02 -0.88483E-04 664 0.176E-01 0.274E-02
DAV: 15 -0.913407911874E+02 -0.13369E-02 -0.17401E-04 680 0.709E-02 0.203E-02
DAV: 16 -0.913417159589E+02 -0.92477E-03 -0.14678E-04 706 0.739E-02 0.114E-02
DAV: 17 -0.913422441729E+02 -0.52821E-03 -0.46221E-05 653 0.305E-02 0.115E-02
DAV: 18 -0.913423858329E+02 -0.14166E-03 -0.13214E-05 504 0.223E-02 0.620E-03
DAV: 19 -0.913425393114E+02 -0.15348E-03 -0.27869E-05 510 0.237E-02 0.442E-03
DAV: 20 -0.913425540941E+02 -0.14783E-04 -0.19404E-06 520 0.103E-02 0.263E-03
DAV: 21 -0.913425736953E+02 -0.19601E-04 -0.55230E-06 400 0.143E-02 0.257E-03
DAV: 22 -0.913425780874E+02 -0.43921E-05 -0.10531E-06 477 0.698E-03
1 F= -.91342578E+02 E0= -.91347239E+02 d E =0.139833E-01