Dear PWSCF community! I need to freeze the position of some atoms during vc-relax mode. In the manual I found that I should type something like that
ATOMIC_POSITIONS angstrom X1 x1 y1 z1 0 0 0 X2 x2 y2 z2 1 1 1 ... if I want to fix atom 1. This option works in the relax calculation but unfortunately doesn't work in vc-relax mode. May you give me any tips how I can solve this problem? Thanks!! -- Sincerely yours, Pavel Sorokin
