~nickpapior/siesta/trunk-buds-format0.92

Viewing all changes in revision 432.2.109.

  • Committer: Alberto Garcia
  • Date: 2015-11-05 13:08:52 UTC
  • mto: This revision was merged to the branch mainline in revision 538.
  • Revision ID: albertog@icmab.es-20151105130852-akm5pz95hd73xe4m
Avoid stopping the program when the solver does not converge. Update documentation.

Rather than stopping the program immediately, we allow the
density-matrix normalization step to try to recover the correct number
of electrons. This is non-optimal but can recover from occassional
instabilities.

Update the manual.

Create Docs/LitCode to hold the .html files produced (manually for now) from
the .lit files in Src.

added:
  Docs/LitCode/
  Docs/LitCode/README
  Docs/LitCode/pexsi-dos.html
  Docs/LitCode/pexsi-ldos.html
  Docs/LitCode/pexsi-lit.html
  Docs/LitCode/pexsi-solver.html
  Docs/LitCode/redist-spmatrix.html
renamed:
  Src/redist-spmatrix.org => Src/redist-spmatrix.lit
modified:
  Docs/siesta.tex
  Src/Makefile
  Src/m_pexsi_driver.F90
  Src/makefile.lit
  Src/pexsi-solver.lit
  Src/redist-spmatrix.lit

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