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Nanodcal Nanodsim RESCU


RESCU-2.1


You may download RESCU 2.1 by clicking on the link in the table below. Detailed installation instructions are found in the doc directory of the RESCU tarball. 

File Description Update date
rescu-2.1.0.tar.gz RESCU-2.1.0 tarball (release-2.1.0-notes.pdf) 2019-03-01

A license for the serial version of RESCU is available free of charge. The license is valid for 3 months and may only be used for academic purposes. Please sign up and/or log into your NanoAcademic account, then click on the following link: click here to activate your free RESCU license.

Pseudopotentials and numerical atomic orbital

You may download pseudopotential and numerical atomic orbital databases by clicking the links below. The pseudopotentials have been generated using either the Troullier-Martins (TM) method or the optimized norm-conserving Vanderbilt (ONCV) method. 

File Method Functional Note Update date
TM_LDA_Nano.tar.gz TM LDA Previously nanodcalbasis.zip; NAO optimized 2013-02-04
TM_PBE_Misc.tar.gz TM PBE NAO unvalidated 2017-01-08
OV_LDA_Dojo.tar.gz ONCV LDA Mostly derived from the PseudoDojo set; NAO unvalidated 2019-03-01
OV_PBE_Dojo.tar.gz ONCV PBE Mostly derived from the PseudoDojo set; NAO unvalidated 2019-03-01

Software dependencies

The parallel version of RESCU relies on several libraries such as BLAS, LAPACK and ScaLAPACK, which themselves depend on compilers. To insure that all RESCU dependencies are correctly compiled and installed, you may use our Easybuild-based installer as follows. 

export VERSION=rc-184
wget https://s3-us-west-2.amazonaws.com/nanoacademic-environment/packages/$VERSION/environment-$VERSION.tar.gz 
wget https://s3-us-west-2.amazonaws.com/nanoacademic-environment/packages/$VERSION/README
wget https://s3-us-west-2.amazonaws.com/nanoacademic-environment/packages/$VERSION/install.sh
bash install.sh module-all environment-$VERSION.tar.gz /path/to/install/directory

The options of the install.sh script are described in the README file. 

Previous versions

rescu-2.0.5.tar.gz (release-2.0.5-notes.pdf)

rescu-2.0.4.tar.gz (release-2.0.4-notes.pdf)

rescu-2.0.3.tar.gz (release-2.0.3-notes.pdf)

rescu-2.0.2.tar.gz (release-2.0.2-notes.pdf)

rescu-2.0.1.tar.gz (release-2.0.1-notes.pdf)

rescu-2.0.0.tar.gz (release-2.0-notes.pdf)