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Fix pbcgto dead link and remove pbc gto duplicate pages #163

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2 changes: 1 addition & 1 deletion source/user/pbc.rst
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@ which has a directory structure that mirrors that of the molecular :mod:`pyscf`
module, e.g. ``from pyscf.pbc import gto, scf``.
Details of how to specify the system details, including the unit cell,
basis sets, and pseudopotentials, are provided in
:ref:`user_pbc_gto`.
`Crystal structure <pbcgto.html>`_.

All electronic structure methods can be applied with periodic
boundary conditions at the Gamma point of the Brillouin zone, :math:`k=(0,0,0)`,
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206 changes: 0 additions & 206 deletions source/user/pbc/gto.rst

This file was deleted.

9 changes: 5 additions & 4 deletions source/user/pbcgto.md
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Expand Up @@ -76,10 +76,11 @@ PySCF uses crystalline Gaussian-type orbitals as basis functions for periodic
calculations. The predefined basis sets and ECPs for molecular calculations
can be used in periodic calculations as well.

As described more in [](link), many PBC calculations require the use of
ECPs (or pseudopotentials, as they are more commonly called in periodic codes).
In addition to molecular ECPs, PySCF includes GTH pseudopotentials,
which have been parameterized for use with HF or different DFT functionals,
As described more in [Density fitting for crystalline
calculations](pbc/df), many PBC calculations require the use of ECPs (or
pseudopotentials, as they are more commonly called in periodic codes). In
addition to molecular ECPs, PySCF includes GTH pseudopotentials, which have
been parameterized for use with HF or different DFT functionals,
```python
cell.pseudo = 'gth-hf'
cell.pseudo = 'gth-lda' # an alias for 'gth-pade'
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