*Hello QE Community,* According to the user guide of cp.x we can use a larger time step "dt" for electron dynamics = "cg" but for my system of 54 atoms (metallic) at 2000 K temperature, it takes a lot of time to take 500 steps for 36 core, 72 nodes. *input file description :* -54 binary atoms 50% each -dt = 40, nstep = 500 (for cp.x code 1 a.u.=2.4189 * 10^-17 s ) ~ 0.5 ps -ion_temp = 2000 K , nose frequency (fnosep) = 40 THz , number of thermostats in the Nose-Hoover chain( nhpcl ) = 4 *Questions*: 1) is there any way to balancing between timestep "dt" and number of CP-MD steps "nstep" to achieve fast simulation ?, 2) In comparison with VASP most of the simulation like NVT, NPT, NVE took 3 to 5 ps to equilibrate at a certain temperature so is there any strategy to speed up the calculation ?
thank you regards jayraj anadani
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