- Category:
- Algorithm
- Tags:
-
- File Size:
- 587kb
- Update:
- 2012-11-26
- Downloads:
- 0 Times
- Uploaded by:
- chenh
Description: Self-consistent calculation of electronic tools pw.x, complete code, including makefile
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PW
..\a2fmod.f90
..\add_bfield.f90
..\add_efield.f90
..\add_paw_to_deeq.f90
..\add_vuspsi.f90
..\addusdens.f90
..\addusforce.f90
..\addusstress.f90
..\allocate_bp_efield.f90
..\allocate_fft.f90
..\allocate_locpot.f90
..\allocate_nlpot.f90
..\allocate_wfc.f90
..\atomic_rho.f90
..\atomic_wfc.f90
..\average_pp.f90
..\becmod.f90
..\bp_c_phase.f90
..\bp_calc_btq.f90
..\bp_qvan3.f90
..\bp_strings.f90
..\buffers.f90
..\c_bands.f90
..\c_phase_field.f90
..\ccgdiagg.f90
..\cdiagh.f90
..\cdiaghg.f90
..\cegterg.f90
..\clean_pw.f90
..\close_files.f90
..\commutator_Hx_psi.f90
..\compute_becsum.f90
..\compute_deff.f90
..\compute_dip.f90
..\compute_qdipol.f90
..\compute_qdipol_so.f90
..\compute_rho.f90
..\compute_ux.f90
..\coset.f90
..\d_matrix.f90
..\data_structure.f90
..\deriv_drhoc.f90
..\divide.f90
..\divide_class.f90
..\divide_class_so.f90
..\divide_et_impera.f90
..\dqvan2.f90
..\drhoc.f90
..\dvloc_of_g.f90
..\dynamics_module.f90
..\efermig.f90
..\efermit.f90
..\electrons.f90
..\eqvect.f90
..\ewald.f90
..\ewald_dipole.f90
..\exx.f90
..\find_group.f90
..\force_cc.f90
..\force_corr.f90
..\force_ew.f90
..\force_hub.f90
..\force_lc.f90
..\force_us.f90
..\forces.f90
..\forces_bp_efield.f90
..\g2_kin.f90
..\g_psi.f90
..\g_psi_mod.f90
..\gen_at_dj.f90
..\gen_at_dy.f90
..\gen_us_dj.f90
..\gen_us_dy.f90
..\generate_vdW_kernel_table.f90
..\get_locals.f90
..\gk_sort.f90
..\gradcorr.f90
..\gweights.f90
..\h_1psi.f90
..\h_epsi_her_apply.f90
..\h_epsi_her_set.f90
..\h_psi.f90
..\h_psi_meta.f90
..\hinit0.f90
..\hinit1.f90
..\init_at_1.f90
..\init_ns.f90
..\init_run.f90
..\init_us_1.f90
..\init_us_2.f90
..\init_vloc.f90
..\input.f90
..\interpolate.f90
..\io_rho_xml.f90
..\irrek.f90
..\iweights.f90
..\kernel_table.f90
..\kpoint_grid.f90
..\lchk_tauxk.f90