Dear pw_forum users, I am trying to plot the density of wannier functions with cp.x. I couldn't find any example, can someone provide me a sample input file? Mine that is edited according to the input parameters description seem not correct. Thank you very much. Best regard, Jinfan ------------------------------------------------------------------------------------------------------- &CONTROL calculation = "cp-wf", restart_mode = "restart", nstep = 100, iprint = 100, isave = 100, dt = 4.D0, ndw = 53, etot_conv_thr = 1.D-16, ekin_conv_thr = 1.D-16, prefix = "h2o_mol", pseudo_dir = "/home/jinfchen/espresso502/pseudo", outdir = "./", / &SYSTEM ibrav = 1, celldm(1) = 20.0, nat = 3, ntyp = 2, ecutwfc = 25.D0, nr1b = 10, nr2b = 10, nr3b = 10,/ &ELECTRONS emass = 350.D0, emass_cutoff = 3.D0, ortho_eps = 5.D-8, ortho_max = 250, electron_dynamics = "damp", electron_damping = 0.15, / &IONS ion_dynamics = "none", / &WANNIER calwf=1 nwf=4 adapt = .true., nsteps = 10, / PLOT_WANNIER 1 2 3 4 ATOMIC_SPECIES O 16.D0 O_US.van H 2.D0 H_US.van ATOMIC_POSITIONS (bohr) O 10.0000 10.0000 10.000 H 11.7325 9.6757 10.000 H 9.6757 11.7325 10.000 ----------------------------------------------------------------------------------------CHEN JinfanSchool of Energy and EnvironmentCity University of Hong KongKowloon, Hong Kong SAR----------------------------------------------------------------------------------------
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