&inputph recover = .false. tr2_ph = 1.0d-17 prefix = 'diamond' amass(1) = 12.011 outdir = './tmp/' fildyn = 'diamond.dyn' fildvscf = 'dvscf' ldisp = .true. nq1 = 1 nq2 = 1 nq3 = 1 /