diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 4d850d6f..48655909 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -30,7 +30,7 @@ jobs: - name: install dependencies run: | sudo apt-get update - sudo apt-get install \ + sudo apt-get -y install \ gfortran \ libblas-dev \ liblapack-dev \ diff --git a/docs/docs/index.md b/docs/docs/index.md index a5eb1346..20694010 100644 --- a/docs/docs/index.md +++ b/docs/docs/index.md @@ -1,9 +1,20 @@ -# Welcome to Wannier90 documentation +# Welcome to the Wannier90 documentation ![Wannier90 logo](assets/wannier-logo.svg){ width=400 } -This is the home of the documenation of [Wannier90](https://wannier.org), -which a computer program for maximally-localised Wannier functions (MLWFs). +This is the home of the documentation of [Wannier90](https://wannier.org), +which is an open-source code for generating maximally localized Wannier +functions and using them to compute advanced electronic properties of materials +with high efficiency and accuracy. + +Many electronic structure codes have an interface to Wannier90, and there are +several post-processing codes that use the output of Wannier90 for further +analysis and calculation. + +For an overview of the main features of Wannier90, please visit the +[Wannier90 homepage](https://wannier.org/features/). + +This documentation contains the following sections: - [User guide](user_guide/introduction.md) - [Tutorials](tutorials/preliminaries.md) diff --git a/src/readwrite.F90 b/src/readwrite.F90 index 336c08af..8ea2def8 100644 --- a/src/readwrite.F90 +++ b/src/readwrite.F90 @@ -2103,7 +2103,7 @@ subroutine w90_readwrite_chkpt_dist(dis_manifold, wannier_data, u_matrix, u_matr ikl = 1 do ikg = 1, num_kpts if (distk(ikg) == rank) then - m_matrix_local(:, :, :, ikl) = m_matrix(:, :, :, ikg) + m_matrix_local(:num_wann, :num_wann, :, ikl) = m_matrix(:, :, :, ikg) ikl = ikl + 1 endif enddo