[lammps-users] Fwd: error when trying to get the elastic modulus of High Entropy Alloy

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1

Hello Sir,
I was trying to get the elastic modulus of HEA using the lammps code. Could you look into the error which says the box tilt factors can only be changed for triclinic box.

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displace.mod (3.83 KB)

in.elastic (6.56 KB)

init.mod (1.26 KB)

slurm-710949.out (21.4 KB)

potential.mod (530 Bytes)

2

the error message is pretty self-explanatory. I don’t even need to look at your files. your input defines an orthogonal box and that cannot be tilted.
so you need to change that to a triclinic box. how this can be done is explained in the manual.