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==NÚRIA LÓPEZ AND GROUP==
==NÚRIA LÓPEZ AND GROUP==


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*'''Computational scaling'''  
*'''Computational scaling'''  
[[Image: Computational_scaling.pdf‎ ]]
[[Image: Computational_scaling.pdf‎ ]]
==CARLES BO AND GROUP==
==FELIU MASERAS AND GROUP==
===How to make backup from a remote machine===
Here a short outline on how to make automatic backup from a remote machine is given. Most of this can be found elsewhere on the Internet, but main ideas are given here for convenience.
# set up ssh to connect via public key authentication
# download and install keychain
# download and install rsync (if it's not already there)
# write a script like this:
<pre>
#! /bin/bash
source ~/.keychain/$HOSTNAME-sh
rsync -avz --exclude-from=exclude-list  $USER@kimik: /some/backup/folder
</pre>
5. put the script in a cron job
====Some comments====
the exclude-list is a file that defines an exclusion pattern. For instance, if you do not want to backup core files and .chk files, you can define that pattern as this:
<pre>
core*
*.chk
</pre>
If you for instance want to backup your files everyday at 6 am., you edit the crontab like this:
<pre>
00 06 * * * absolute path of your script
</pre>

Revision as of 11:10, 12 June 2009

NÚRIA LÓPEZ AND GROUP

  • MatWeb Conversions
A useful unit conversor:  http://www.matweb.com/tools/conversion.asp
  • Cohesive Energies:

Cohesive Energies data in a pdf document: File:Cohesive Energies.pdf

  • Platinum Group Metals properties

Lots of data on metals and alloys: [1] [2]

  • Crystal structures:

Calculated Cell parameters for some transition and noble metals.

Crystal lattice prototypes [3]

Rutile related structures

  • List of very useful papers

Fundamentals of Plane Wave calculations: [4] Test on functionals: [5] CI-NEB: d-band model: [6] Universality and related concepts: [7] [8] [9] Bayesian: [10]

  • Computational scaling

File:Computational scaling.pdf

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