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documentation version 0.3.1
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ricardoribeiro-2020 committed Jul 19, 2022
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -9,7 +9,7 @@ Then the Berry connections can be used to calculate the first order optical cond

Therefore, this suite of programs can be used in other calculations other than Berry connections and related topics, with small adaptations.

In this version 0.3 small improvements have been done relative to previous versions.
In this version 0.3.1 an important bug has been solved and parallelization has been added to some of the scripts.

It still can only be used with 2D materials and with DFT suite Quantum Espresso.

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9 changes: 8 additions & 1 deletion docs/RELEASENOTES
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RELEASE NOTES for berry v.0.3
RELEASE NOTES for berry v.0.3.1

New in 0.3.1 version:

- Serious bug corrected in the script preprocessing.py

- Parallelization added to scripts preprocessing.py and dotproduct.py


New in 0.3 version:

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2 changes: 1 addition & 1 deletion docs/TODO
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Expand Up @@ -2,7 +2,7 @@ This is a list of things to add or improve in the suite berry.
No special order.

1. Add suport for noncolinear calculations
2. Implement paralelization in python code
2. Implement paralelization in more python code
3. Implement verification of initial conditions in each run
4. Create a Makefile and improve instalation and configuration
5. Add calculation of and properties derived from Berry curvature
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7 changes: 5 additions & 2 deletions docs/documentation.tex
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Expand Up @@ -33,7 +33,7 @@
\begin{LARGE}Documentation \end{LARGE}
\vspace*{1cm}

\begin{Huge}v.0.3\end{Huge}
\begin{Huge}v.0.3.1\end{Huge}
\vspace*{0.5cm}

\today
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\item dft.py
\item comutator.py
\item write\_k\_points.py
\item NestablePool.py
\end{itemize}

It is likely that some of these scripts will be merged with others while new ones will appear due to new functionalities.
It is likely that some of these scripts will be merged with others
while new ones will appear due to new functionalities.



Expand All @@ -109,6 +111,7 @@ \section{People}
\begin{itemize}
\item Ícaro Jael Moura (Fortaleza, Brasil) for the exploratory work and testing;
\item Irving Leander Reascos Valencia (Braga, Portugal) for improving the performance and AI work;
\item Fábio Carneiro for the parallelization of the python code and its performance;
\item Nuno Castro (LIP-Minho, Braga, Portugal) for coordinating AI work;
\item Gonçalo Ventura (Porto, Portugal) for the equations for non-linear optical properties calculated from the Berry connections;
\item Afonso Duarte Ribeiro, author of the logo.
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