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D R Hamann, PhD. Density functional simulations of the properties of materials including. Vibrational modes and phonons. Elastic and piezoelectric constants. Algorithm and software development. Applications consulting, specializing in ABINIT. Open-source pseudopotential code ONCVPSP (download). Murray Hill, NJ 07974.

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D R Hamann, PhD. Density functional simulations of the properties of materials including. Vibrational modes and phonons. Elastic and piezoelectric constants. Algorithm and software development. Applications consulting, specializing in ABINIT. Open-source pseudopotential code ONCVPSP (download). Murray Hill, NJ 07974.
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Mat-Sim Research | mat-simresearch.com Reviews

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D R Hamann, PhD. Density functional simulations of the properties of materials including. Vibrational modes and phonons. Elastic and piezoelectric constants. Algorithm and software development. Applications consulting, specializing in ABINIT. Open-source pseudopotential code ONCVPSP (download). Murray Hill, NJ 07974.

LINKS TO THIS WEBSITE

abinit.org abinit.org

Atomic data files — Abinit

http://www.abinit.org/downloads/atomic-data-files

PAW atomic data files. Guide for new users. Help file for ABINIT. You may download three types of recommended atomic data files :. PAW atomic data files. You may produce your own atomic data files :. To use ABINIT in specific conditions it is recommended to produce your own atomic data sets. This is the case, for example, if one wants to make simulations in specific thermodynamic conditions, or use specific exchange-correlation functionals, etc. PAW atomic data files. AtomPAW atomic dataset generator.

abinit.org abinit.org

Links — Abinit

http://www.abinit.org/community/links

PAW atomic data files. Guide for new users. Help file for ABINIT. Tools ( Graphical user interfaces, . ). AbinitGUI is the official Abinit Graphical User Interface that allows you to manage your jobs, create input, pre- and post-process your results. This software is developed in Java and therefore is fully standalone and cross-platform. Abipy is an open-source library for the analysis of the results produced by ABINIT. EXC is an exciton code working in reciprocal space, frequency domain, and using plane...

abinit.org abinit.org

ABINIT International Advisory Committee — Abinit

http://www.abinit.org/community/abinit-advisory-committee

PAW atomic data files. Guide for new users. Help file for ABINIT. ABINIT International Advisory Committee. ABINIT International Advisory Committee. Presently (outcome of the meeting in Dinard, April 16, 2013, confirmed in Liège, April 29, 2015),. The members of the Advisory Committee are:. Doug C. Allan, Corning Inc., USA. Service de Recherches de Métallurgie Physique CEA-Saclay, France. D Caliste INAC/SP2M/L SIM, CEA-Grenoble, France. Physics Department, Université de Montréal, Canada. John J. Rehr.

abinit.org abinit.org

Norm-conserving Pseudopotentials — Abinit

http://www.abinit.org/downloads/psp-links/pseudopotentials

PAW atomic data files. Guide for new users. Help file for ABINIT. LDA pseudopotential files :. For most of the elements in the periodic table, generated by A. Khein and D.C. Allan. For most of the elements in the periodic table. Another Web site with the Hartwigsen-Goedeker-Hutter pseudopotentials. Teter "extended norm-conserving" pseudopotentials. For selected elements (Troullier-Martins scheme). LDA core-hole pseudopotential files. For a few elements. GGA (PBE) pseudopotential files :. This file is dis...

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D R Hamann, PhD. Density functional simulations of the properties of materials including. Vibrational modes and phonons. Elastic and piezoelectric constants. Algorithm and software development. Applications consulting, specializing in ABINIT. Open-source pseudopotential code ONCVPSP (download). Murray Hill, NJ 07974.

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