./iterations/neb0_image02_iter19_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 0.403917676335E+03 0.40392E+03 -0.15920E+04 424 0.706E+02
DAV: 2 -0.129971767288E+02 -0.41691E+03 -0.39838E+03 594 0.166E+02
DAV: 3 -0.139431244823E+03 -0.12643E+03 -0.12571E+03 513 0.973E+01
DAV: 4 -0.148955227451E+03 -0.95240E+01 -0.94983E+01 464 0.326E+01
DAV: 5 -0.149231513110E+03 -0.27629E+00 -0.27616E+00 528 0.509E+00 0.248E+01
DAV: 6 -0.136782733562E+03 0.12449E+02 -0.37634E+01 457 0.258E+01 0.131E+01
DAV: 7 -0.135334589945E+03 0.14481E+01 -0.48185E+00 496 0.889E+00 0.602E+00
DAV: 8 -0.134706115335E+03 0.62847E+00 -0.91100E-01 488 0.437E+00 0.210E+00
DAV: 9 -0.134550791447E+03 0.15532E+00 -0.29659E-01 480 0.217E+00 0.597E-01
DAV: 10 -0.134531458380E+03 0.19333E-01 -0.49701E-02 472 0.954E-01 0.396E-01
DAV: 11 -0.134523063197E+03 0.83952E-02 -0.92117E-03 464 0.437E-01 0.176E-01
DAV: 12 -0.134518565627E+03 0.44976E-02 -0.78997E-03 464 0.305E-01 0.125E-01
DAV: 13 -0.134522377125E+03 -0.38115E-02 -0.37520E-03 465 0.263E-01 0.899E-02
DAV: 14 -0.134528933022E+03 -0.65559E-02 -0.22922E-03 456 0.190E-01 0.555E-02
DAV: 15 -0.134534666210E+03 -0.57332E-02 -0.14246E-03 528 0.144E-01 0.489E-02
DAV: 16 -0.134537987860E+03 -0.33217E-02 -0.32628E-04 456 0.724E-02 0.340E-02
DAV: 17 -0.134540928857E+03 -0.29410E-02 -0.47505E-04 528 0.720E-02 0.137E-02
DAV: 18 -0.134542095814E+03 -0.11670E-02 -0.84552E-05 464 0.333E-02 0.156E-02
DAV: 19 -0.134542912685E+03 -0.81687E-03 -0.51022E-05 464 0.227E-02 0.502E-03
DAV: 20 -0.134543271649E+03 -0.35896E-03 -0.40609E-05 440 0.215E-02 0.793E-03
DAV: 21 -0.134543347083E+03 -0.75435E-04 -0.78928E-06 344 0.145E-02 0.232E-03
DAV: 22 -0.134543391334E+03 -0.44251E-04 -0.83669E-06 320 0.103E-02 0.358E-03
DAV: 23 -0.134543399613E+03 -0.82790E-05 -0.12503E-06 360 0.585E-03
1 F= -.13454340E+03 E0= -.13454904E+03 d E =0.169190E-01