Thank you to Zheyong Fan for using this good GPUMD program.
Today, I have question again.
When I use GPUMD for EMD calculation of pristine graphene, I set the run.in
file like below:
##################################################################################
potential_definition type
potential
/home/soonsung/GPUMD-master/potentials/tersoff/Graphene_Lindsay_2010_modified.txt
0
velocity 300
ensemble nvt_nhc 300 300 100
time_step 0.5
dump_thermo 100
dump_restart 200000
run 2000000
ensemble nve
time_step 0.5
compute_hac 20 50000 10
run 100000000
###################################################################################
And I saw that
hac.out have 15000 columns, resulting in three independent simulation values.
how could I have just 3 independent values instead of 10 independent values
that I expected to get.
How can I understand what was happened in here?
