set nrowmax 32 load ../../atomset/s0028/md065.xml set ecut 85 set wf_dyn PSDA set xc SCAN set ecutprec 4 set scf_tol 1.e-9 run -atomic_density 0 50 10 set scf_tol 1.e-8 set polarization MLWF_REF response 1.e-4 50 10