Question about output file Settings when searching NEB transition state using TAD method

Hello, everyone,
I am using the TAD method to search for possible NEB transition states. There are tow kind of output file in this calculation, the first is log.lammps that contain thermodynamic data during calculation, and the second is log.neb that contain NEB data(including total reaction coordinate and system potential energy during migration path).

I want to know the specific migration process and path, information about migration path is only indirectly obtain according to log.neb and lattice structure currently. Is there a way to output the TAD calculated migration energy corresponding to the migration process dump file so that I can see the specific migration process of the transition state each time it is executed?

Here is my input file:

 units                  metal 
 boundary               p p p 
 atom_style             full
 atom_modify  map array 
 atom_modify  sort 0 0.0
 neigh_modify delay 0 every 1 check yes
 
 # temperatures
variable tlo equal 300.0
variable thi equal 2400.0

# coordination number cutoff
variable r equal 2.835

# minimization parameters

variable etol equal 1.0e-5
variable ftol equal 1.0e-5
variable maxiter equal 100
variable maxeval equal 100
variable dmax equal 1.0e-1

 read_data    inters_3la.data

 #Define   atoms    type
 variable U equal 1
 variable O equal 2

 # set charges
 set type $O charge -1.1104
 set type $U charge 2.2208

velocity all create ${thi} 5287286 mom yes rot yes dist gaussian

# define interatomic potential via coulombic and embed_UO2.fs tabulation 
kspace_style pppm 1.0e-5
variable SR_CUTOFF equal 11.0
pair_style hybrid/overlay coul/long ${SR_CUTOFF} eam/alloy
pair_coeff   *    *    coul/long
pair_coeff   *    *    eam/alloy CeThUNpPuAmCmO.eam.alloy U O

thermo          10

fix             1 all nve
fix 		2 all langevin ${thi} ${thi} 0.1 48278

timestep        0.002

# equilibrate

run             1000

# Eliminate COM motion
velocity all zero linear 

compute coord all coord/atom cutoff $r

compute  patom all pe/atom
compute  pe all reduce sum c_patom
compute  satom all stress/atom NULL
compute  str all reduce sum c_satom[1] c_satom[2] c_satom[3]
variable press equal (c_str[1]+c_str[2]+c_str[3])/(3*vol)

thermo_style custom step temp pe c_pe press v_press

compute         event all event/displace 1.0

unfix 1
unfix 2
fix 		1 all nvt temp ${thi} ${thi} 0.1
 
tad 20000 50 ${tlo} ${thi} 0.05 1.0 event &
    min ${etol} ${ftol} ${maxiter} ${maxeval} &
    neb 0.0 0.01 200 200 20 neb_style fire neb_log log.neb

You are posting two different topics in a single topic and also do it in a way that suggests you are running both commands at the same time, plus the quoted commands are misformatted. So please do the following:

  • study the forum guidelines and learn how to properly format quoted text from input files
  • delete this topic and post two new topics where you ask one question each
  • make sure the posts contain sufficient context information to allow people to respond. The current one is too short on that.

Sorry about my mistake.
I will post my questions in the way you said.