User interface version of softBV 1.3.1
Besides a number of bug fixes and extensions of the parameter sets, version 1.3.1 includes a more user adjustable version of the predictor for absolute conductivities. Temperature range and number of mobile ions in the strutcure can now be modified to predict the effect of doping.
The dopant predictor has been revised thoroughly [see Chemistry of Materials 33 (2021) 625 - 641] in version Version 1.2.7 that also includes a coordination number identification for occupied and interstitial sites.
Download executable version for Windows
Installation for Windows
It is sufficient to unzip the folder anywhere on your computer. No further installation is required if you keep the bin subfolder with the required data and executables in the same folder as the user interface programme softBV-GUI.exe.The programme can be started by double-clicking on softBV-GUI.
Download executable version for Linux
Installation for Linux
(1) Unzip the folder anywhere on your computer. Keep the bin subfolder with the required data and additional executables in the same folder as the user interface programme(2) All executable files are marked by an extension .x. For these you need to give the programmes executable rights
e.g. chmod u+x softBV-GUI.x
(3) Expand and export the library path variable to include the softBV.x execution folder. So, every user will have to do: LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/your execution folder/bin
echo LD_LIBRARY_PATH (to check if it has been added to your library path)
Alternatively, you may copy the file "libfftw.3.so.3" required fror the FFT subroutine to your library folder
License for academic use (23 February 2021)
This software and data are provided as a service to the scientific community and may be used free of charge for research and educational purposes.The incorporation of any part of this software into other academic software is permitted as long as this software is equally distributed free of charge and the source is properly cited. Any publications making use of this software should cite the following papers(1) H. Chen, L.L. Wong, S.Adams; SoftBV - a software tool for screening the materials genome of inorganic fast ion conductors. Acta Crystallogr. B 75 (2019), 18-33. https://doi.org/10.1107/S2052520618015718 (as the source of the code)
(2) H. Chen, S. Adams; Bond softness sensitive bond-valence parameters for crystal structure plausibility tests. IUCrJ 4 (2017) 614-625. https://doi.org/10.1107/S2052520618015718 (as the source of the BV parameters)
(3) L.L. Wong, K.C. Phuah, R. Dai, H. Chen, W.S. Chew, S. Adams; Bond Valence Pathway Analyzer - An Automatic Rapid Screening Tool for Fast Ion Conductors within softBV. Chemistry of Materials 33 (2021) 625 - 641. https://doi.org/10.1021/acs.chemmater.0c03893 for the pathway analyser algorithm and the user interface.
Users are also encouraged to register by sending an Email to mseasn@nus.edu.sg. In this case they will be notified of updates or corrections.
License for non-academic use
License agreements for non-academic use are available on request. Please contact the author. This software may not be sold,licensed, transferred, copied or reproduced in whole or in part or in any manner of form other than in accordance with the license conditions shown above or otherwise without the prior written consent of the copyright owner.
WARRANTY DISCLAIMER
THE softBV SOFTWARE AND THE PARAMETERS USED THEREIN HAVE BEEN CAREFULLY DETERMINED. NEVERTHELESS THE AUTHOR OR HIS EMPLOYER CANNOT GRANT FOR THE ACCURACY OF ALL PARTS OF THE SOFTWARE OR THE SUITABILITY OF THIS SOFTWARE OR DATA FOR ANY PURPOSE, AND MAKE NO WARRANTIES, EITHER EXPRESS OR IMPLIED, INCLUDING THE WARRANTIES OF MERCHANTABILITY AND FITNESS FOR ANY PARTICULAR PURPOSE OR THAT THE USE OF THIS SOFTWARE OR DATA WILL NOT INFRINGE ANY THIRD PARTY PATENTS, COPYRIGHTS, TRADEMARKS OF OTHER RIGHTS. IT IS PROVIDED "AS IS".
History
13 Jul. 2022 Update to version 1.3.1.22 Apr. 2021 Installation instructions for Linux version updated.
24 Mar. 2021 A first Linux version with GUI has been uploaded.
23 Mar. 2021 The Linux commandline version has been brought to the same status as the Windows command line version.
23 Feb. 2021 Minor update to version 1.2.7. The main feature added is a bond-valence based coordination number identification available both in command mode ( --cal-cn-bv ) and on the basic structure information page of the GUI version displayed once an individual cif file is loaded.
10 Feb. 2021 Information of Chem Mater paper updated in academic license conditions.
7 Dec. 2020 Minor update of version 1.2.6 to address a bug in the cooperation between softBV and softBV-GUI regarding the relaxation routine.