ICAMM Rennes 2016 HOWTO - Revision history

Vaspmaster at 12:01, 31 August 2016

2016-08-31T12:01:50Z

← Older revision		Revision as of 12:01, 31 August 2016
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	:<li>launch terminal:</li>		:<li>launch terminal:</li>
	:go to '''openSUSE''' booklet (down left of the screen), select '''Système''' and choose '''Terminal'''		:go to '''openSUSE''' booklet (down left of the screen), select '''Système''' and choose '''Terminal'''
	:<li>source the environment via the following command</li>		:<li>source the environment via the following command:</li>
	:<code>source /etc/bash.bashrc</code>		:<code>source /etc/bash.bashrc</code>
	:<li>export the proper LC_NUMERIC environment using the following command</li>		:<li>export the proper LC_NUMERIC environment using the following command:</li>
	:<code>export LC_NUMERIC="en_US.UTF-8"</code>		:<code>export LC_NUMERIC="en_US.UTF-8"</code>
	:<li>execute to following command:		:<li>execute to following command:

2016-08-31T12:01:19Z

← Older revision		Revision as of 12:01, 31 August 2016
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	:<li>source the environment via the following command</li>		:<li>source the environment via the following command</li>
	:<code>source /etc/bash.bashrc</code>		:<code>source /etc/bash.bashrc</code>
	<li>export the proper LC_NUMERIC environment using the following command</li>		:<li>export the proper LC_NUMERIC environment using the following command</li>
	<code>export LC_NUMERIC="en_US.UTF-8"</code>		:<code>export LC_NUMERIC="en_US.UTF-8"</code>
			:<li>execute to following command:
			:<code>/bin/bash</code>
	</ol>		</ol>
	* '''VASP calculations''':		* '''VASP calculations''':

2016-08-25T16:02:16Z

← Older revision		Revision as of 16:02, 25 August 2016
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	:<li>source the environment via the following command</li>		:<li>source the environment via the following command</li>
	:<code>source /etc/bash.bashrc</code>		:<code>source /etc/bash.bashrc</code>
			<li>export the proper LC_NUMERIC environment using the following command</li>
			<code>export LC_NUMERIC="en_US.UTF-8"</code>
	</ol>		</ol>
	* '''VASP calculations''':		* '''VASP calculations''':

2016-08-25T10:14:37Z

← Older revision		Revision as of 10:14, 25 August 2016
Line 1:		Line 1:
	Here is a brief tutorial on how to run a calculation and how to run post-treatment tools during the VASP training school in Rennes.		Here is a brief tutorial on how to run a calculation and how to run post-treatment tools during the VASP training school in Rennes.
	* '''First thing to do''':		* '''First thing to do''':
	:source the environment via the following command		<ol>
			:<li>launch terminal:</li>
			:go to '''openSUSE''' booklet (down left of the screen), select '''Système''' and choose '''Terminal'''
			:<li>source the environment via the following command</li>
	:<code>source /etc/bash.bashrc</code>		:<code>source /etc/bash.bashrc</code>
			</ol>
	* '''VASP calculations''':		* '''VASP calculations''':
	::3 versions of the VASP code are available:		::3 versions of the VASP code are available:

2016-08-24T08:44:22Z

← Older revision		Revision as of 08:44, 24 August 2016
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	Here is a brief tutorial on how to run a calculation and how to run post-treatment tools		Here is a brief tutorial on how to run a calculation and how to run post-treatment tools during the VASP training school in Rennes.
	* '''First thing to do''':		* '''First thing to do''':
	:source the environment via the following command		:source the environment via the following command

2016-08-23T19:49:13Z

← Older revision		Revision as of 19:49, 23 August 2016
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	Here is a brief tutorial on how to run a calculation and how to run post-~~traitment~~ tools		Here is a brief tutorial on how to run a calculation and how to run post-treatment tools
	* '''First thing to do''':		* '''First thing to do''':
	:source the environment via the following command		:source the environment via the following command

2016-08-23T16:26:40Z

← Older revision		Revision as of 16:26, 23 August 2016
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	:To use wannier90, use the following command:		:To use wannier90, use the following command:
	:<code>/ICAMM/wannier/wannier90-1.2/wannier90.x</code>		:<code>/ICAMM/wannier/wannier90-1.2/wannier90.x</code>

			*'''phonopy'''
			:To use phonopy, use the following command:
			:<code>phonopy</code>

	* '''Gnuplot''':		* '''Gnuplot''':
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	To use the p4vasp visualization software, use the following command:		To use the p4vasp visualization software, use the following command:
	:<code>p4v</code>		:<code>p4v</code>

			* '''vmd''':
			To use the vmd visualization software, use the following command:
			:<code>vmd</code>

2016-08-23T16:23:46Z

← Older revision		Revision as of 16:23, 23 August 2016
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	:For more infos about gnuplot, visit the [http://www.gnuplot.info following website]		:For more infos about gnuplot, visit the [http://www.gnuplot.info following website]

			* '''p4vasp''':
			To use the p4vasp visualization software, use the following command:
			:<code>p4v</code>

2016-08-23T16:20:31Z

← Older revision		Revision as of 16:20, 23 August 2016
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	*'''wannier90'''		*'''wannier90'''
			:To use wannier90, use the following command:
			:<code>/ICAMM/wannier/wannier90-1.2/wannier90.x</code>

	* '''Gnuplot''':		* '''Gnuplot''':

2016-08-23T16:03:17Z

← Older revision		Revision as of 16:03, 23 August 2016
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	::3 versions of the VASP code are available:		::3 versions of the VASP code are available:
	<ol>		<ol>
	~~:<li>the so-called ''gamma'' version which allows you to make ''gamma'' calculation but with only 1 K-point</li>~~
	~~:To use it, enter the following command on a terminal~~

	~~:<code>vasp_gam</code>~~

	:<li>the so-called ''standard'' version which allows you to make ''standard'' calculation with several K-points</li>		:<li>the so-called ''standard'' version which allows you to make ''standard'' calculation with several K-points</li>
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	:<code>vasp_ncl</code>		:<code>vasp_ncl</code>

			:<li>the so-called ''gamma'' version which allows you to make ''gamma'' calculation but with only 1 K-point</li>
			:To use it, enter the following command on a terminal

			:<code>vasp_gam</code>
	</ol>		</ol>