Comments on: Quantum Espresso meets bash : Primer and tidying up http://www.emresururi.com/physics/?p=145 a blog about physics, computation, computational physics and materials... Mon, 20 Jun 2016 16:19:33 +0000 hourly 1 https://wordpress.org/?v=4.9.3 By: Paolo Giannozzi http://www.emresururi.com/physics/?p=145&cpage=1#comment-23329 Mon, 19 Nov 2012 09:54:53 +0000 http://www.emresururi.com/physics/?p=145#comment-23329 Comments in namelists can be introduced using “!”.
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Paolo

]]> By: Hex, Bugs and More Physics | Emre S. Tasci » Blog Archive » Quantum Espresso meets bash : Automated running for various values http://www.emresururi.com/physics/?p=145&cpage=1#comment-19210 Tue, 13 Mar 2012 22:43:54 +0000 http://www.emresururi.com/physics/?p=145#comment-19210 […] Now that we can include comments in our input files and submit our jobs in a tidied up way, it’s time to automatize the “convergence search” process. For this, we’ll be using the same diamond example of the previous entry. […]

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