~nickpapior/siesta/esm

Viewing all changes in revision 493.

  • Committer: Nick Papior
  • Date: 2016-04-29 07:31:13 UTC
  • mfrom: (484.1.15 ldau-devel)
  • Revision ID: nickpapior@gmail.com-20160429073113-l1lmerrqcoa1oqey
Enabled LDA+U in siesta

- Conversion of the previous implementation to the trunk version
  This version has been implemented by Javier Junquera

added:
  Src/ldau.F
  Src/ldau_specs.f
modified:
  Docs/siesta.tex
  Src/Makefile
  Src/atm_transfer.f
  Src/atm_types.f
  Src/atmfuncs.f
  Src/atom.F
  Src/basis_io.F
  Src/basis_specs.f
  Src/basis_types.f
  Src/broadcast_basis.F
  Src/compute_energies.F90
  Src/compute_max_diff.F
  Src/final_H_f_stress.F
  Src/hsparse.F
  Src/initatom.f
  Src/m_energies.F90
  Src/matel_registry.F90
  Src/register_rfs.F90
  Src/scfconvergence_test.F
  Src/setup_hamiltonian.F
  Src/siesta_init.F
  Src/write_subs.F

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