I am sorry if the question is so bacis, acutally I am facing problem while running NEB and using the file style ‘each’. The calculation don’t run with the error of ‘Illegal NEB command (src/REPLICA/neb.cpp:124)’.
I have all replicas initial configurations present in the directory and here is the simplest command I am using for neb
‘neb 0.0 0.001 1000 500 30 each sic.1 sic.2 sic.3 sic.4 sic.5 sic.6 sic.7’
I have also tried by specifying variable “variable i equal part” and neb command “neb 0.0 0.001 1000 500 50 each sic.$i”
even, I also try to run with “variable u uloop 7” and mentioning it in neb command.
can you suggest me where could be the problem.
i am facing very bad optimisation of final replica with file style final for so I am trying to be mroe confident of final geometry so I am using this file style.
please accept my best regards
Irslan Ullah Ashraf