文件名称:gpaw-0.10.0.11364.tar
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- 上传时间:2014-10-26
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GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods, atom-centered basis-functions or plane-waves. Read more about the Algorithms used.
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下载文件列表
gpaw-0.10.0.11364/
gpaw-0.10.0.11364/c/
gpaw-0.10.0.11364/c/bmgs/
gpaw-0.10.0.11364/c/bmgs/bmgs.c
gpaw-0.10.0.11364/c/bmgs/bmgs.h
gpaw-0.10.0.11364/c/bmgs/cut.c
gpaw-0.10.0.11364/c/bmgs/fd.c
gpaw-0.10.0.11364/c/bmgs/interpolate.c
gpaw-0.10.0.11364/c/bmgs/paste.c
gpaw-0.10.0.11364/c/bmgs/relax.c
gpaw-0.10.0.11364/c/bmgs/restrict.c
gpaw-0.10.0.11364/c/bmgs/spherical_harmonics.h
gpaw-0.10.0.11364/c/bmgs/spline.c
gpaw-0.10.0.11364/c/bmgs/stencils.c
gpaw-0.10.0.11364/c/bmgs/translate.c
gpaw-0.10.0.11364/c/bmgs/zero.c
gpaw-0.10.0.11364/c/xc/
gpaw-0.10.0.11364/c/xc/ensemble_gga.c
gpaw-0.10.0.11364/c/xc/libxc.c
gpaw-0.10.0.11364/c/xc/m06l.c
gpaw-0.10.0.11364/c/xc/pbe.c
gpaw-0.10.0.11364/c/xc/pw91.c
gpaw-0.10.0.11364/c/xc/revtpss.c
gpaw-0.10.0.11364/c/xc/revtpss_c_pbe.c
gpaw-0.10.0.11364/c/xc/rpbe.c
gpaw-0.10.0.11364/c/xc/tpss.c
gpaw-0.10.0.11364/c/xc/vdw.c
gpaw-0.10.0.11364/c/xc/xc.c
gpaw-0.10.0.11364/c/xc/xc_gpaw.h
gpaw-0.10.0.11364/c/xc/xc_mgga.c
gpaw-0.10.0.11364/c/xc/xc_mgga.h
gpaw-0.10.0.11364/c/_gpaw.c
gpaw-0.10.0.11364/c/bc.c
gpaw-0.10.0.11364/c/bc.h
gpaw-0.10.0.11364/c/blacs.c
gpaw-0.10.0.11364/c/blas.c
gpaw-0.10.0.11364/c/cblas.h
gpaw-0.10.0.11364/c/cerf.c
gpaw-0.10.0.11364/c/extensions.h
gpaw-0.10.0.11364/c/f2c.h
gpaw-0.10.0.11364/c/fftw.c
gpaw-0.10.0.11364/c/hdf5.c
gpaw-0.10.0.11364/c/lapack.c
gpaw-0.10.0.11364/c/lcao.c
gpaw-0.10.0.11364/c/lfc.c
gpaw-0.10.0.11364/c/lfc.h
gpaw-0.10.0.11364/c/lfc2.c
gpaw-0.10.0.11364/c/localized_functions.c
gpaw-0.10.0.11364/c/localized_functions.h
gpaw-0.10.0.11364/c/mlsqr.c
gpaw-0.10.0.11364/c/mpi.c
gpaw-0.10.0.11364/c/mympi.h
gpaw-0.10.0.11364/c/operators.c
gpaw-0.10.0.11364/c/plane_wave.c
gpaw-0.10.0.11364/c/plt.c
gpaw-0.10.0.11364/c/point_charges.c
gpaw-0.10.0.11364/c/spline.c
gpaw-0.10.0.11364/c/spline.h
gpaw-0.10.0.11364/c/symmetry.c
gpaw-0.10.0.11364/c/transformers.c
gpaw-0.10.0.11364/c/utilities.c
gpaw-0.10.0.11364/c/wigner_seitz.c
gpaw-0.10.0.11364/gpaw/
gpaw-0.10.0.11364/gpaw/analyse/
gpaw-0.10.0.11364/gpaw/analyse/__init__.py
gpaw-0.10.0.11364/gpaw/analyse/eed.py
gpaw-0.10.0.11364/gpaw/analyse/expandyl.py
gpaw-0.10.0.11364/gpaw/analyse/hirshfeld.py
gpaw-0.10.0.11364/gpaw/analyse/observers.py
gpaw-0.10.0.11364/gpaw/analyse/simple_stm.py
gpaw-0.10.0.11364/gpaw/analyse/vdwradii.py
gpaw-0.10.0.11364/gpaw/analyse/wignerseitz.py
gpaw-0.10.0.11364/gpaw/atom/
gpaw-0.10.0.11364/gpaw/atom/__init__.py
gpaw-0.10.0.11364/gpaw/atom/aeatom.py
gpaw-0.10.0.11364/gpaw/atom/all_electron.py
gpaw-0.10.0.11364/gpaw/atom/analyse_setup.py
gpaw-0.10.0.11364/gpaw/atom/apawbasis.py
gpaw-0.10.0.11364/gpaw/atom/atompaw.py
gpaw-0.10.0.11364/gpaw/atom/basis.py
gpaw-0.10.0.11364/gpaw/atom/configurations.py
gpaw-0.10.0.11364/gpaw/atom/derivatives.py
gpaw-0.10.0.11364/gpaw/atom/filter.py
gpaw-0.10.0.11364/gpaw/atom/generator.py
gpaw-0.10.0.11364/gpaw/atom/generator2.py
gpaw-0.10.0.11364/gpaw/atom/gpaw_basis.py
gpaw-0.10.0.11364/gpaw/atom/gpaw_setup.py
gpaw-0.10.0.11364/gpaw/atom/polarization.py
gpaw-0.10.0.11364/gpaw/atom/radialgd.py
gpaw-0.10.0.11364/gpaw/eigensolvers/
gpaw-0.10.0.11364/gpaw/eigensolvers/__init__.py
gpaw-0.10.0.11364/gpaw/eigensolvers/cg.py
gpaw-0.10.0.11364/gpaw/eigensolvers/davidson.py
gpaw-0.10.0.11364/gpaw/eigensolvers/eigensolver.py
gpaw-0.10.0.11364/gpaw/eigensolvers/rmm_diis.py
gpaw-0.10.0.11364/gpaw/eigensolvers/rmm_diis_old.py
gpaw-0.10.0.11364/gpaw/io/
gpaw-0.10.0.11364/gpaw/io/__init__.py
gpaw-0.10.0.11364/gpaw/io/cc1.py
gpaw-0.10.0.11364/gpaw/io/cmr_io.py
gpaw-0.10.0.11364/gpaw/io/dummy.py
gpaw-0.10.0.11364/gpaw/io/etsf.py
gpaw-0.10.0.11364/gpaw/io/fmf.py
gpaw-0.10.0.11364/gpaw/io/hdf5.py
gpaw-0.10.0.11364/gpaw/io/hdf5_highlevel.py
gpaw-0.10.0.11364/gpaw/io/netcdf.py
gpaw-0.10.0.11364/gpaw/io/plt.py
gpaw-0.10.0.11364/gpaw/io/tar.py
gpaw-0.10.0.11364/gpaw/io/tarext.py
gpaw-0.10.0.11364/gpaw/lcao/
gpaw-0.10.0.11364/gpaw/lcao/__init__.py
gpaw-0.10.0.11364/gpaw/lcao/analyse_basis.py
gpaw-0.10.0.11364/gpaw/lcao/bsse.py
gpaw-0.10.0.11364/gpaw/lcao/eigensolver.py
gpaw-0.10.0.11364/gpaw/lcao/el_ph.py
gpaw-0.10.0.11364/gpaw/lcao/overlap.py
gpaw-0.10.0.11364/gpaw/lcao/projected_wannier.py
gpaw-0.10.0.11364/gpaw/lcao/pwf2.py
gpaw-0.10.0.11364/gpaw/lcao/tightbinding.py
gpaw-0.10.0.11364/gpaw/lcao/tools.py
gpaw-0.10.0.11364/gpaw/lrtddft/
gpaw-0.10.0.11364/gpaw/lrtddft/__init__.py
gpaw-0.10.0.11364/gpaw/lrtddft/apmb.py
gpaw-0.10.0.11364/gpaw/lrtddft/convergence.py
gpaw-0.10.0.11364/gpaw/lrtddft/excitation.py
gpaw-0.10.0.11364/gpaw/lrtddft/excited_state.py
gpaw-0.10.0.11364/gpaw/lrtddft/kssingle.py
gpaw-0.10.0.11364/gpaw/lrtddft/omega_matrix.py
gpaw-0.10.0.11364/gpaw/lrtddft/spectrum.py
gpaw-0.10.0.11364/gpaw/lrtddft2/
gpaw-0.10.0.11364/gpaw/lrtddft2/__init__.py
gpaw-0.10.0.11364/gpaw/mpi/
gpaw-0.10.0.11364/gpaw/mpi/__init__.py
gpaw-0.10.0.11364/gpaw/mpi/config.py
gpaw-0.10.0.11364/gpaw/pes/
gpaw-0.10.0.11364/gpaw/pes/__init__.py
gpaw-0.10.0.11364/gpaw/pes/continuum.py
gpaw-0.10.0.11364/gpaw/pes/dos.py
gpaw-0.10.0.11364/gpaw/pes/ds_beta.py
gpaw-0.10.0.11364/gpaw/pes/state.py
gpaw-0.10.0.11364/gpaw/pes/tddft.py
gpaw-0.10.0.11364/gpaw/response/
gpaw-0.10.0.11364/gpaw/response/__init__.py
gpaw-0.10.0
gpaw-0.10.0.11364/c/
gpaw-0.10.0.11364/c/bmgs/
gpaw-0.10.0.11364/c/bmgs/bmgs.c
gpaw-0.10.0.11364/c/bmgs/bmgs.h
gpaw-0.10.0.11364/c/bmgs/cut.c
gpaw-0.10.0.11364/c/bmgs/fd.c
gpaw-0.10.0.11364/c/bmgs/interpolate.c
gpaw-0.10.0.11364/c/bmgs/paste.c
gpaw-0.10.0.11364/c/bmgs/relax.c
gpaw-0.10.0.11364/c/bmgs/restrict.c
gpaw-0.10.0.11364/c/bmgs/spherical_harmonics.h
gpaw-0.10.0.11364/c/bmgs/spline.c
gpaw-0.10.0.11364/c/bmgs/stencils.c
gpaw-0.10.0.11364/c/bmgs/translate.c
gpaw-0.10.0.11364/c/bmgs/zero.c
gpaw-0.10.0.11364/c/xc/
gpaw-0.10.0.11364/c/xc/ensemble_gga.c
gpaw-0.10.0.11364/c/xc/libxc.c
gpaw-0.10.0.11364/c/xc/m06l.c
gpaw-0.10.0.11364/c/xc/pbe.c
gpaw-0.10.0.11364/c/xc/pw91.c
gpaw-0.10.0.11364/c/xc/revtpss.c
gpaw-0.10.0.11364/c/xc/revtpss_c_pbe.c
gpaw-0.10.0.11364/c/xc/rpbe.c
gpaw-0.10.0.11364/c/xc/tpss.c
gpaw-0.10.0.11364/c/xc/vdw.c
gpaw-0.10.0.11364/c/xc/xc.c
gpaw-0.10.0.11364/c/xc/xc_gpaw.h
gpaw-0.10.0.11364/c/xc/xc_mgga.c
gpaw-0.10.0.11364/c/xc/xc_mgga.h
gpaw-0.10.0.11364/c/_gpaw.c
gpaw-0.10.0.11364/c/bc.c
gpaw-0.10.0.11364/c/bc.h
gpaw-0.10.0.11364/c/blacs.c
gpaw-0.10.0.11364/c/blas.c
gpaw-0.10.0.11364/c/cblas.h
gpaw-0.10.0.11364/c/cerf.c
gpaw-0.10.0.11364/c/extensions.h
gpaw-0.10.0.11364/c/f2c.h
gpaw-0.10.0.11364/c/fftw.c
gpaw-0.10.0.11364/c/hdf5.c
gpaw-0.10.0.11364/c/lapack.c
gpaw-0.10.0.11364/c/lcao.c
gpaw-0.10.0.11364/c/lfc.c
gpaw-0.10.0.11364/c/lfc.h
gpaw-0.10.0.11364/c/lfc2.c
gpaw-0.10.0.11364/c/localized_functions.c
gpaw-0.10.0.11364/c/localized_functions.h
gpaw-0.10.0.11364/c/mlsqr.c
gpaw-0.10.0.11364/c/mpi.c
gpaw-0.10.0.11364/c/mympi.h
gpaw-0.10.0.11364/c/operators.c
gpaw-0.10.0.11364/c/plane_wave.c
gpaw-0.10.0.11364/c/plt.c
gpaw-0.10.0.11364/c/point_charges.c
gpaw-0.10.0.11364/c/spline.c
gpaw-0.10.0.11364/c/spline.h
gpaw-0.10.0.11364/c/symmetry.c
gpaw-0.10.0.11364/c/transformers.c
gpaw-0.10.0.11364/c/utilities.c
gpaw-0.10.0.11364/c/wigner_seitz.c
gpaw-0.10.0.11364/gpaw/
gpaw-0.10.0.11364/gpaw/analyse/
gpaw-0.10.0.11364/gpaw/analyse/__init__.py
gpaw-0.10.0.11364/gpaw/analyse/eed.py
gpaw-0.10.0.11364/gpaw/analyse/expandyl.py
gpaw-0.10.0.11364/gpaw/analyse/hirshfeld.py
gpaw-0.10.0.11364/gpaw/analyse/observers.py
gpaw-0.10.0.11364/gpaw/analyse/simple_stm.py
gpaw-0.10.0.11364/gpaw/analyse/vdwradii.py
gpaw-0.10.0.11364/gpaw/analyse/wignerseitz.py
gpaw-0.10.0.11364/gpaw/atom/
gpaw-0.10.0.11364/gpaw/atom/__init__.py
gpaw-0.10.0.11364/gpaw/atom/aeatom.py
gpaw-0.10.0.11364/gpaw/atom/all_electron.py
gpaw-0.10.0.11364/gpaw/atom/analyse_setup.py
gpaw-0.10.0.11364/gpaw/atom/apawbasis.py
gpaw-0.10.0.11364/gpaw/atom/atompaw.py
gpaw-0.10.0.11364/gpaw/atom/basis.py
gpaw-0.10.0.11364/gpaw/atom/configurations.py
gpaw-0.10.0.11364/gpaw/atom/derivatives.py
gpaw-0.10.0.11364/gpaw/atom/filter.py
gpaw-0.10.0.11364/gpaw/atom/generator.py
gpaw-0.10.0.11364/gpaw/atom/generator2.py
gpaw-0.10.0.11364/gpaw/atom/gpaw_basis.py
gpaw-0.10.0.11364/gpaw/atom/gpaw_setup.py
gpaw-0.10.0.11364/gpaw/atom/polarization.py
gpaw-0.10.0.11364/gpaw/atom/radialgd.py
gpaw-0.10.0.11364/gpaw/eigensolvers/
gpaw-0.10.0.11364/gpaw/eigensolvers/__init__.py
gpaw-0.10.0.11364/gpaw/eigensolvers/cg.py
gpaw-0.10.0.11364/gpaw/eigensolvers/davidson.py
gpaw-0.10.0.11364/gpaw/eigensolvers/eigensolver.py
gpaw-0.10.0.11364/gpaw/eigensolvers/rmm_diis.py
gpaw-0.10.0.11364/gpaw/eigensolvers/rmm_diis_old.py
gpaw-0.10.0.11364/gpaw/io/
gpaw-0.10.0.11364/gpaw/io/__init__.py
gpaw-0.10.0.11364/gpaw/io/cc1.py
gpaw-0.10.0.11364/gpaw/io/cmr_io.py
gpaw-0.10.0.11364/gpaw/io/dummy.py
gpaw-0.10.0.11364/gpaw/io/etsf.py
gpaw-0.10.0.11364/gpaw/io/fmf.py
gpaw-0.10.0.11364/gpaw/io/hdf5.py
gpaw-0.10.0.11364/gpaw/io/hdf5_highlevel.py
gpaw-0.10.0.11364/gpaw/io/netcdf.py
gpaw-0.10.0.11364/gpaw/io/plt.py
gpaw-0.10.0.11364/gpaw/io/tar.py
gpaw-0.10.0.11364/gpaw/io/tarext.py
gpaw-0.10.0.11364/gpaw/lcao/
gpaw-0.10.0.11364/gpaw/lcao/__init__.py
gpaw-0.10.0.11364/gpaw/lcao/analyse_basis.py
gpaw-0.10.0.11364/gpaw/lcao/bsse.py
gpaw-0.10.0.11364/gpaw/lcao/eigensolver.py
gpaw-0.10.0.11364/gpaw/lcao/el_ph.py
gpaw-0.10.0.11364/gpaw/lcao/overlap.py
gpaw-0.10.0.11364/gpaw/lcao/projected_wannier.py
gpaw-0.10.0.11364/gpaw/lcao/pwf2.py
gpaw-0.10.0.11364/gpaw/lcao/tightbinding.py
gpaw-0.10.0.11364/gpaw/lcao/tools.py
gpaw-0.10.0.11364/gpaw/lrtddft/
gpaw-0.10.0.11364/gpaw/lrtddft/__init__.py
gpaw-0.10.0.11364/gpaw/lrtddft/apmb.py
gpaw-0.10.0.11364/gpaw/lrtddft/convergence.py
gpaw-0.10.0.11364/gpaw/lrtddft/excitation.py
gpaw-0.10.0.11364/gpaw/lrtddft/excited_state.py
gpaw-0.10.0.11364/gpaw/lrtddft/kssingle.py
gpaw-0.10.0.11364/gpaw/lrtddft/omega_matrix.py
gpaw-0.10.0.11364/gpaw/lrtddft/spectrum.py
gpaw-0.10.0.11364/gpaw/lrtddft2/
gpaw-0.10.0.11364/gpaw/lrtddft2/__init__.py
gpaw-0.10.0.11364/gpaw/mpi/
gpaw-0.10.0.11364/gpaw/mpi/__init__.py
gpaw-0.10.0.11364/gpaw/mpi/config.py
gpaw-0.10.0.11364/gpaw/pes/
gpaw-0.10.0.11364/gpaw/pes/__init__.py
gpaw-0.10.0.11364/gpaw/pes/continuum.py
gpaw-0.10.0.11364/gpaw/pes/dos.py
gpaw-0.10.0.11364/gpaw/pes/ds_beta.py
gpaw-0.10.0.11364/gpaw/pes/state.py
gpaw-0.10.0.11364/gpaw/pes/tddft.py
gpaw-0.10.0.11364/gpaw/response/
gpaw-0.10.0.11364/gpaw/response/__init__.py
gpaw-0.10.0
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