I want to calculate the binding energy of hydrogen on metallic surface using Lammps. But, I do not know how ?
Thank you, I do appreciate with your answer.
I want to calculate the binding energy of hydrogen on metallic surface using
Lammps. But, I do not know how ?
this is a bad mailing post for multiple reasons:
- what kind of a question is "but i do not know how?"? it is neither
a grammatically correct question (rather a statement with a question
mark added), nor is it actually asking something useful (do you want
that somebody confirms what you don't know?). it is a really bad
practice to let the person reading you e-mail imply a question or
request from it ("can somebody please explain to me, how to do such a
calculation?").
- it is not a question about LAMMPS but about doing a general
(scientific) operation, that is - as such - completely independent
from the tool you are using. more importantly, it is about a rather
fundamental and basic concept. that is quite an embarrassing thing for
a trained scientist to ask. if you training is worth any money, you
should be able to "research" this on your own (how hard is it to
figure out: deltaE_binding = E_unbound - E_bound ?).
- it is generally frowned upon and rather impolite to request to a
complete guide to do a specific operation. even more so when not
providing *any* indication and explanation, that you have made an
effort yourself and thus are showing the proper respect to the people
volunteering their time here to help people. nobody likes to spend any
effort on somebody that does not seem to have invested any effort
personally. that isn't even willing to spend the effort to formulate a
proper question.
- a mailing list is not a classroom. specifically not for general
research topics. at best you can see it as a study group, where people
discuss what they have learned before in class.
i would very much appreciate it (and i think i am not alone), if you
would make a better effort (in fact, show any effort) to post more
suitable and on-topic e-mails to this list.
thanks in advance for your understanding,
axel.