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Crystal orbital algebraic diagrammatic construction

The CO-ADC program suite has been designed to calculate band structures of semiconducting and insulating crystals. Thereby, the electron correlations are accounted for on ab initio level using the crystal orbital algebraic diagrammatic construction (CO-ADC) scheme. The software comprises an … Continue reading

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Opium: Pseudopotential generation project

Opium is a pseudopotential generation tool for planewave pseudopotential calculations in condensed matter. At present, it supports generation of pseudopotential formats suitable for CASTEP, ABINIT, PWSCF, Bh, and FHI98md. Find Opium: Pseudopotential generation project at: http://opium.sourceforge.net/

Rating: 4.1. From 7 votes.
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TeraPy

TeraPy is a graphical user interface for terahertz time-domain spectroscopy and other sequential measurements processes. Find TeraPy at: http://pythonhosted.org/terapy/

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Quantum ESPRESSO

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Find Quantum ESPRESSO at: http://www.quantum-espresso.org/

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