Differences

This shows you the differences between two versions of the page.

--- howto [2018/04/10 10:48] – [Installation] jglan
+++ howto [2018/10/21 22:42] – [Advanced Topics] 95.91.92.183
@@ Line 22: / Line 22: @@
   * [[howto:gemc|How to run GEMC calculations]]
 ===== Advanced Topics =====
-  * [[http://www.travis-analyzer.de/files/travis_ir_raman.pdf|How to calculate infrared and Raman spectra from MD]] with CP2K and [[http://www.travis-analyzer.de/|TRAVIS]].
+  * [[https://brehm-research.de/spectroscopy|How to calculate vibrational spectra from AIMD]] with CP2K and [[http://www.travis-analyzer.de/|TRAVIS]] (Updated 2018).
+  * [[https://brehm-research.de/bqb|Lossless compression of trajectories and Cube files - the bqb format]].
   * [[howto:langevin_regions|How to run Born-Oppenheimer MD with regions connected to thermal baths using Generalised Langevin MD]]
   * [[howto:libcusmm | How to use the auto-tuning of Libcusmm]]