Dear users and developers of Quantum ESPRESSO, I have released a new GUI software “Advance/NanoLabo” < https://nanolabo-doc.readthedocs.io/en/latest/>,
which is the commercial version of BURAI <https://nisihara.wixsite.com/burai> . Advance/NanoLabo helps you to calculate with Quantum ESPRESSO and LAMMPS. You can perform the following calculations through Advance/NanoLabo: For Quantum ESPRESSO, - SCF - Geometry Optimization - First Principle Molecular Dynamics - Band Structure - Density of States - TD-DFT - Phonon’s Band Structure - Phonon’s DOS - Vibrational Modes For LAMMPS, - Geometry Optimization - NVE, NVT, NPT Ensemble - Multiple Calculation Scheme Setting - Charge & Lennard-Jones Force Field - OPLS-AA Force Field (automatically assigning atom types) - ReaxFF Force Field - EAM / MEAM Force Field And, Advance/NanoLabo provides modeling tools: - Searching Database (Materials Project, PubChem) - Translation of Cell - Building Super Cell - Building Slab Model - Finding Primitive/Standard Cell - Conversion between Hexagonal and Orthorhombic Cell - Element Substitution - Lattice Defect - Drawing a Molecule - Packing Molecules - Molecular Adsorption onto Slab This software works on the systems of Windows, Linux and macOS. You can also use it on the cloud platform of Exabyte.io <https://exabyte.io >. You can download its installer from https://nanolabo-doc.readthedocs.io/en/latest/install.html , and you can use it for one month with trial license. Please try it. Best regards, Satomichi Nishihara AdvanceSoft Corporation, MAIL: [email protected] URL: http://www.advancesoft.jp
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