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METADISE - METADISE

Redirected from Main Page. Lessons to help you start using METADISE. Tutorials targeted towards running particular types of simulation in METADISE. Information on assorted input parameters/files. Information describing the output files. Brief information and references on the theoretical techniques underlying the program. Example systems treated by METADISE:. A slab of Alpha Quartz. A grain boundary in Wurzite. Retrieved from " http:/ metadise.org/w/index.php? This page has been accessed 47,346 times.

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METADISE - METADISE | metadise.org Reviews

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Redirected from Main Page. Lessons to help you start using METADISE. Tutorials targeted towards running particular types of simulation in METADISE. Information on assorted input parameters/files. Information describing the output files. Brief information and references on the theoretical techniques underlying the program. Example systems treated by METADISE:. A slab of Alpha Quartz. A grain boundary in Wurzite. Retrieved from http:/ metadise.org/w/index.php? This page has been accessed 47,346 times.

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METADISE - METADISE | metadise.org Reviews

https://metadise.org

Redirected from Main Page. Lessons to help you start using METADISE. Tutorials targeted towards running particular types of simulation in METADISE. Information on assorted input parameters/files. Information describing the output files. Brief information and references on the theoretical techniques underlying the program. Example systems treated by METADISE:. A slab of Alpha Quartz. A grain boundary in Wurzite. Retrieved from " http:/ metadise.org/w/index.php? This page has been accessed 47,346 times.

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metadise.org

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NOSHIFT - METADISE

http://metadise.org/w/Special:Random

Is relevant only when printing a DL POLY output file using "PRINT DLPOLY". By default METADISE will move the ions in the system so that the centre of mass is located at the origin. This may be useful, for instance to place the middle of a surface slab at the origin. If this is not required then NOSHIFT. Should be specified. DLPOLY. Retrieved from " http:/ metadise.org/w/index.php? This page was last modified on 20 November 2013, at 15:15. This page has been accessed 2,247 times.

2

Category:OUTPUT - METADISE

http://metadise.org/w/Category:OUTPUT

METADISE produces a set of useful output files that allow the user to analyse the results of a calculation. The files may be split into two categories. Firstly, core files that are produced by all successful runs of METADISE and secondly, optional files that are produced to give the results from specific types of calculation. The primary output file with information from the whole METADISE run. Contains the crystal structure at the end of the METADISE run in a format readable by METADISE. Contains the in...

3

Category:GETTING STARTED - METADISE

http://metadise.org/w/Category:GETTING_STARTED

Here we will place lessons for beginners. A table describing the lessons, in a format like on the output files page, may be good here. Learn to input a bulk crystal structure of rutile TiO2 and optimize it at constant pressure. We also demonstrate how to print the structure to a file format to be optimized using DFT in VASP (and other DFT codes). We will also optimize MgO with a potential model that includes shells. This category currently contains no pages or media.

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Pages that link to "METADISE" - METADISE

http://metadise.org/w/Special:WhatLinksHere/METADISE

Pages that link to "METADISE". The following pages link to METADISE. View (previous 50 next 50) ( 20. Redirect page) ( links. View (previous 50 next 50) ( 20. Retrieved from " http:/ metadise.org/w/Special:WhatLinksHere/METADISE.

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Changes related to "METADISE" - METADISE

http://metadise.org/w/Special:RecentChangesLinked/METADISE

Changes related to "METADISE". This is a list of changes made recently to pages linked from a specified page (or to members of a specified category). Pages on your watchlist. This edit created a new page (also see list of new pages. This is a minor edit. This edit was performed by a bot. The page size changed by this number of bytes. Changes in last 1. Show new changes starting from 01:25, 30 August 2016. Show changes to pages linked to the given page instead.

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METADISE - METADISE

Redirected from Main Page. Lessons to help you start using METADISE. Tutorials targeted towards running particular types of simulation in METADISE. Information on assorted input parameters/files. Information describing the output files. Brief information and references on the theoretical techniques underlying the program. Example systems treated by METADISE:. A slab of Alpha Quartz. A grain boundary in Wurzite. Retrieved from " http:/ metadise.org/w/index.php? This page has been accessed 47,346 times.

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