Deal all，
According to the example for silicon on the Alamode official website, I attempted to calculate the thermal conductivity of SiC. The phonon spectrum appears to be accurate, but the thermal conductivity is noticeably too low, only 50 W/mK at 300 K. I have tried modifying the cutoff， k-point density and the supercell size, but the results still converge at 50. I would like to seek assistance on this matter. Below are some of my input files.
SiC444.lammps (19.2 KB)
How is this a LAMMPS problem when LAMMPS is purely used as a “force engine” here?
I’m sorry for posting in the wrong place, but I’m unsure where the issue lies and couldn’t find relevant information. My intention in this community is to seek help from anyone who has experience using alamode with lammps. Thank you for your understanding."
Which makes this a question about alamode and not LAMMPS, so you should post in a corresponding forum. Finding people that have experience with alamode in such a forum would be massively higher than here. Just think about what fraction of LAMMPS users use alamode and then multiply this with the number of people regularly responding to posts here and you will get a number that is very close to zero. Please also see this post for what you can expect from people responding here and what not.
Unless you can prove beyond doubt, that LAMMPS computes incorrect forces, which is extremely unlikely given the extremely simple input using features that have been in LAMMPS for a very long time. I understand your desperation, but that doesn’t justify an off-topic post.
I am thus closing this topic now.
