./iterations/neb0_image06_iter10_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 0.405181784857E+03 0.40518E+03 -0.15905E+04 424 0.706E+02
DAV: 2 -0.124617190676E+02 -0.41764E+03 -0.39866E+03 601 0.166E+02
DAV: 3 -0.140380200236E+03 -0.12792E+03 -0.12726E+03 536 0.975E+01
DAV: 4 -0.148980704567E+03 -0.86005E+01 -0.85811E+01 472 0.310E+01
DAV: 5 -0.149215323344E+03 -0.23462E+00 -0.23449E+00 528 0.471E+00 0.248E+01
DAV: 6 -0.136864412740E+03 0.12351E+02 -0.37046E+01 443 0.254E+01 0.131E+01
DAV: 7 -0.135400908828E+03 0.14635E+01 -0.47257E+00 496 0.887E+00 0.600E+00
DAV: 8 -0.134770705258E+03 0.63020E+00 -0.92431E-01 488 0.435E+00 0.207E+00
DAV: 9 -0.134612488578E+03 0.15822E+00 -0.27953E-01 480 0.211E+00 0.588E-01
DAV: 10 -0.134591876245E+03 0.20612E-01 -0.50183E-02 488 0.940E-01 0.400E-01
DAV: 11 -0.134582220997E+03 0.96552E-02 -0.98222E-03 480 0.462E-01 0.162E-01
DAV: 12 -0.134577442474E+03 0.47785E-02 -0.74436E-03 480 0.333E-01 0.130E-01
DAV: 13 -0.134582002024E+03 -0.45596E-02 -0.63363E-03 457 0.353E-01 0.107E-01
DAV: 14 -0.134588296989E+03 -0.62950E-02 -0.27293E-03 456 0.233E-01 0.569E-02
DAV: 15 -0.134592134287E+03 -0.38373E-02 -0.12958E-03 496 0.143E-01 0.526E-02
DAV: 16 -0.134596113248E+03 -0.39790E-02 -0.40473E-04 480 0.783E-02 0.248E-02
DAV: 17 -0.134599438455E+03 -0.33252E-02 -0.28646E-04 464 0.555E-02 0.149E-02
DAV: 18 -0.134601179984E+03 -0.17415E-02 -0.15245E-04 496 0.401E-02 0.125E-02
DAV: 19 -0.134602067163E+03 -0.88718E-03 -0.57906E-05 448 0.266E-02 0.563E-03
DAV: 20 -0.134602514470E+03 -0.44731E-03 -0.34218E-05 393 0.188E-02 0.532E-03
DAV: 21 -0.134602675874E+03 -0.16140E-03 -0.79460E-06 336 0.115E-02 0.403E-03
DAV: 22 -0.134602741258E+03 -0.65384E-04 -0.95686E-06 344 0.118E-02 0.349E-03
DAV: 23 -0.134602750705E+03 -0.94469E-05 -0.24917E-06 344 0.711E-03
1 F= -.13460275E+03 E0= -.13460901E+03 d E =0.187710E-01