[QE-users] Difference between plot_num = 5 and plot_num = 10 in pp.x

Dear users, could anyone tell me what is the difference between plot_num = 5 and 10 in pp.x? I know that the plot_num = 5 is for STM images under the Tersoff-Hamann approximation, but I do not understand which is the main difference between the output file for plotting in that case in comparison

[QE-users] Ensemble_DFT simulation

Dear expert, I determined the lattice constant of Cu from pw.x calculations. Further, considering the thermal expansion co-efficient of Cu I determined the lattice constant at 300K. However, when I did ensemble_DFT simulation of the structure at 300K the pressure is above 600 GPa. Can you

Re: [QE-users] error of band-structure calculations with tpiba_c

It looks like there is something wrong with your planewaves grid: G-vector sticks info sticks:   dense  smooth PW G-vecs:    dense smooth  PW Sum    4197   0  0 925237    0   0 Which may be caused, or linked to, the fact