./iterations/neb0_image02_iter16_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.404028563104E+03 0.40403E+03 -0.15920E+04 424 0.706E+02
DAV: 2 -0.129853047734E+02 -0.41701E+03 -0.39848E+03 594 0.166E+02
DAV: 3 -0.139438651671E+03 -0.12645E+03 -0.12573E+03 513 0.974E+01
DAV: 4 -0.148959650995E+03 -0.95210E+01 -0.94955E+01 464 0.326E+01
DAV: 5 -0.149235728623E+03 -0.27608E+00 -0.27595E+00 528 0.509E+00 0.248E+01
DAV: 6 -0.136783292611E+03 0.12452E+02 -0.37601E+01 457 0.259E+01 0.131E+01
DAV: 7 -0.135334937149E+03 0.14484E+01 -0.48530E+00 496 0.892E+00 0.602E+00
DAV: 8 -0.134706977324E+03 0.62796E+00 -0.91150E-01 488 0.438E+00 0.210E+00
DAV: 9 -0.134551247829E+03 0.15573E+00 -0.29673E-01 480 0.217E+00 0.596E-01
DAV: 10 -0.134531998252E+03 0.19250E-01 -0.48947E-02 472 0.948E-01 0.395E-01
DAV: 11 -0.134523484048E+03 0.85142E-02 -0.92585E-03 464 0.436E-01 0.174E-01
DAV: 12 -0.134519089053E+03 0.43950E-02 -0.77222E-03 464 0.302E-01 0.125E-01
DAV: 13 -0.134523056055E+03 -0.39670E-02 -0.37935E-03 465 0.265E-01 0.892E-02
DAV: 14 -0.134529495717E+03 -0.64397E-02 -0.22718E-03 456 0.190E-01 0.552E-02
DAV: 15 -0.134535284327E+03 -0.57886E-02 -0.14682E-03 528 0.147E-01 0.502E-02
DAV: 16 -0.134538661986E+03 -0.33777E-02 -0.34932E-04 456 0.745E-02 0.322E-02
DAV: 17 -0.134541559385E+03 -0.28974E-02 -0.46950E-04 528 0.707E-02 0.143E-02
DAV: 18 -0.134542695155E+03 -0.11358E-02 -0.75443E-05 472 0.313E-02 0.147E-02
DAV: 19 -0.134543484637E+03 -0.78948E-03 -0.46567E-05 456 0.214E-02 0.486E-03
DAV: 20 -0.134543853859E+03 -0.36922E-03 -0.36726E-05 440 0.199E-02 0.678E-03
DAV: 21 -0.134543929102E+03 -0.75243E-04 -0.51416E-06 344 0.116E-02 0.221E-03
DAV: 22 -0.134543986486E+03 -0.57384E-04 -0.89791E-06 336 0.101E-02 0.355E-03
DAV: 23 -0.134543993870E+03 -0.73841E-05 -0.12390E-06 360 0.633E-03
1 F= -.13454399E+03 E0= -.13454975E+03 d E =0.172693E-01