I am trying to find out temperature dependent lattice constant (Silicon) using CPMD (NPT ensemble). If I want the lattice parameters at 300 K, should I set temp 300 K in both &cell and &ion card? I have seen a paper using an NPT ensemble and set temperature only &ion card (not &cell card), that's why I am confused. However, I am following the steps below step1) Relax cell using pw.x step2) relax electrons to the ground state using cp.x step3) Add some random displacement to ion using cp.x Step4) Start CPMD (NPT ensemble) using 'vc-cp'(I have attached the input file of step 4)

After finishing the simulation, I checked the Si.evp file ( this file is also attached) to check the convergence. Looking at the file I am confused whether my simulation converged or not. As you can see the cell temperature (image is attached didn't converge to 300 K (as I set , already 20000 steps done). But Ion temperature (image is attached) looks good to me. If I want to find out lattice parameters at 300 K, what should I do now? Run the simulations more steps until the cell temperature converges to 300 K? Are there any settings I can use to converge it to earlier steps?