Dear Lammps Users,
I am trying to run bulk ice-Ig calculations for verification of a its velocity auto correlation and density of states and I am using the attached structure but unfortunately I am getting an error using it.
Can anyone of you provide me with a source to get a proper verified structure suitable for calculations with lammps. Because I have tried many data files downloaded from the web and am not able to get satisfactory results.
Thanks,
data.water (218 KB)
Dear Lammps Users,
I am trying to run bulk ice-Ig calculations for verification of a its
velocity auto correlation and density of states and I am using the attached
structure but unfortunately I am getting an error using it.Can anyone of you provide me with a source to get a proper verified
structure suitable for calculations with lammps. Because I have tried many
data files downloaded from the web and am not able to get satisfactory
results.
​from the rather little usable information you are providing, the most
obvious conclusion seems to be that your problem is not so much located in
the data file, but between your chair and your keyboard. no data file or
LAMMPS command can fix that.
perhaps you should have a look at the suggestions made on this webpage
http://www.catb.org/esr/faqs/smart-questions.html to get some inspiration
for how to improve your chances to get useful help instead of being told
off.
axel.