EPW Forum

Dear H. Lee, Thank you very much for your useful suggestions. Now I have another problem on the mobility of the perovskite CsSnI3. I used the a 4*4*4 q-mesh to calculate the phonon after the self-consistent DFT calculations with 9*9*9 k-mesh. When I finished it, the phonon dispersion looks good comp...

Recently, I use EPW to do some calculations on CsSnI3 with spin-orbital coupling. First, I ran ph.x code to calculate the phonon on the basis of the charge density with SOC. When it was finished, I ran q2r.x to get the interatomic force file (CsSnI3.fc). Then I copied it to the save directory genera...