./neb1_max2_image01_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 0.284562308811E+03 0.28456E+03 -0.14244E+04 376 0.704E+02
DAV: 2 0.310640706218E+02 -0.25350E+03 -0.24528E+03 528 0.135E+02
DAV: 3 -0.428304977752E+02 -0.73895E+02 -0.63275E+02 516 0.667E+01
DAV: 4 -0.572407791945E+02 -0.14410E+02 -0.10863E+02 608 0.241E+01
DAV: 5 -0.588752239577E+02 -0.16344E+01 -0.15389E+01 560 0.930E+00 0.261E+01
DAV: 6 -0.115268954329E+03 -0.56394E+02 -0.66189E+02 648 0.428E+01 0.475E+01
DAV: 7 -0.528369980503E+02 0.62432E+02 -0.55544E+01 536 0.177E+01 0.275E+01
DAV: 8 -0.465535298193E+02 0.62835E+01 -0.36739E+01 608 0.144E+01 0.244E+01
DAV: 9 -0.442879063696E+02 0.22656E+01 -0.50193E+00 625 0.565E+00 0.233E+01
DAV: 10 -0.409520900422E+02 0.33358E+01 -0.24376E+00 666 0.247E+00 0.206E+01
DAV: 11 -0.458236025841E+02 -0.48715E+01 -0.76575E+01 681 0.562E+00 0.236E+01
DAV: 12 -0.448866726392E+02 0.93693E+00 -0.11473E+01 576 0.716E+00 0.214E+01
DAV: 13 -0.421751831944E+02 0.27115E+01 -0.51835E+00 584 0.476E+00 0.315E+01
DAV: 14 -0.402306062730E+02 0.19446E+01 -0.33467E+00 561 0.231E+00 0.170E+01
DAV: 15 -0.400152448180E+02 0.21536E+00 -0.50151E+00 656 0.288E+00 0.172E+01
DAV: 16 -0.409996734625E+02 -0.98443E+00 -0.44576E+00 627 0.193E+00 0.211E+01
DAV: 17 -0.394113769643E+02 0.15883E+01 -0.38632E+00 688 0.156E+00 0.957E+00
DAV: 18 -0.395575206839E+02 -0.14614E+00 -0.18227E+00 594 0.157E+00 0.125E+01
DAV: 19 -0.397093209310E+02 -0.15180E+00 -0.29441E+00 640 0.115E+00 0.145E+01
DAV: 20 -0.393652171228E+02 0.34410E+00 -0.11638E-01 427 0.720E-01 0.118E+01
DAV: 21 -0.396482598846E+02 -0.28304E+00 -0.85657E-01 632 0.844E-01 0.126E+01
DAV: 22 -0.394579268705E+02 0.19033E+00 -0.85805E-01 648 0.955E-01 0.128E+01
DAV: 23 -0.392533538202E+02 0.20457E+00 -0.10614E+00 616 0.960E-01 0.916E+00
DAV: 24 -0.391472914697E+02 0.10606E+00 -0.27816E-01 688 0.711E-01 0.684E+00
DAV: 25 -0.391693248710E+02 -0.22033E-01 -0.43902E-01 640 0.603E-01 0.772E+00
DAV: 26 -0.392188201521E+02 -0.49495E-01 -0.10066E-01 513 0.467E-01 0.113E+01
DAV: 27 -0.391687443158E+02 0.50076E-01 -0.74934E-03 600 0.235E-01 0.100E+01
DAV: 28 -0.390753074116E+02 0.93437E-01 -0.62143E-01 688 0.524E-01 0.390E+00
DAV: 29 -0.392175911907E+02 -0.14228E+00 -0.16722E-01 460 0.565E-01 0.951E+00
DAV: 30 -0.390837859899E+02 0.13381E+00 -0.41492E-01 648 0.596E-01 0.230E+00
DAV: 31 -0.392001336675E+02 -0.11635E+00 -0.22030E-01 608 0.512E-01 0.739E+00
DAV: 32 -0.391265259876E+02 0.73608E-01 -0.21214E-01 542 0.420E-01 0.655E+00
DAV: 33 -0.391052503712E+02 0.21276E-01 -0.24828E-01 688 0.388E-01 0.282E+00
DAV: 34 -0.391159829644E+02 -0.10733E-01 -0.31215E-02 404 0.311E-01 0.143E+00
DAV: 35 -0.391178703809E+02 -0.18874E-02 -0.35135E-02 602 0.181E-01 0.151E+00
DAV: 36 -0.391203343689E+02 -0.24640E-02 -0.42494E-02 624 0.164E-01 0.182E+00
DAV: 37 -0.391199700888E+02 0.36428E-03 -0.71953E-03 523 0.122E-01 0.150E+00
DAV: 38 -0.391172614749E+02 0.27086E-02 -0.19346E-03 464 0.692E-02 0.651E-01
DAV: 39 -0.391186966287E+02 -0.14352E-02 -0.23451E-03 539 0.662E-02 0.424E-01
DAV: 40 -0.391191370347E+02 -0.44041E-03 -0.26278E-04 432 0.551E-02 0.230E-01
DAV: 41 -0.391192959483E+02 -0.15891E-03 -0.10558E-03 562 0.281E-02 0.334E-01
DAV: 42 -0.391192396932E+02 0.56255E-04 -0.48388E-04 384 0.284E-02 0.626E-02
DAV: 43 -0.391193241832E+02 -0.84490E-04 -0.25658E-05 282 0.146E-02 0.235E-02
DAV: 44 -0.391193579419E+02 -0.33759E-04 -0.16817E-05 272 0.809E-03 0.520E-02
DAV: 45 -0.391193887781E+02 -0.30836E-04 -0.46458E-05 258 0.914E-03 0.127E-01
DAV: 46 -0.391193644013E+02 0.24377E-04 -0.35591E-05 251 0.832E-03 0.347E-02
DAV: 47 -0.391193879970E+02 -0.23596E-04 -0.30675E-05 258 0.743E-03 0.687E-02
DAV: 48 -0.391193853115E+02 0.26855E-05 -0.15185E-05 244 0.656E-03
1 F= -.39119385E+02 E0= -.39015202E+02 d E =-.312549E+00