[Ifit-users] iFit 1.8 released: Phonons/DFT calculation and S(q, w) treatment

[farhi]

 Dear iFit users,

I'm glad to announce the iFit 1.8 release. It contains many bug fixes,
but the most important changes are listed below:

 	* I/O: read ILL Cyclops [1] HBIN and IDL [2] SAV files.
 	* MATH: Iterative deconvolution as _deconv_ method. Better handling of
event data sets, and other improvements.
 	* PHONONS: Major upgrade of _ab-initio_ DFT phonon dispersion [3]
Model, which now supports EMT, GPAW, ABINIT, Elk, Dacapo, NWChem,
QuantumEspresso and VASP when installed.
 	* S(Q,W) TREATMENT [4] scripts to compare MD and measured dynamic
structure factor, compute dynamic range, generalized density of states,
total scattering cross sections, characteristic frequencies, powder
average from 4D S(hkl,w).
 	* MATLAB support: Full compatibility with Matlab releases >= R2014b.

As usual, the release is available as:

 	* SOURCE code for Matlab <http://ifit.mccode.org/Downloads/iFit.zip
[5]>
 	* standalone packages for 64 bit systems:

 	* WINDOW
Installer<http://ifit.mccode.org/Downloads/binary/win64/iFit-1.8-Setup64.exe
[6]>
 	* LINUX
<http://ifit.mccode.org/Downloads/binary/glnx64/ifit-1.8-amd64.deb [7]>,
but you should install package_ ifit-phonons_ to benefit from full
phonons support. See here [8] and below.
 	* MACOSX
<http://ifit.mccode.org/Downloads/binary/mac64/iFit-1.8.app.zip [9]>. No
need to install the MCRInstaller. To force open and pass the missing
signature error, use Ctrl-Click menu, then Open.

 We recommend using a Linux Debian based system (Ubuntu/Debian/Mint...),
which can be a virtual machine, and install with the procedure:

sudo apt-add-repository 'deb http://packages.mccode.org/debian stable
main'
sudo apt-get update
sudo apt-get install ifit-phonons

 which does it all with DFT code support for phonons (ifit,
mcrinstaller, DFT codes, ASE).

Cheers, Emmanuel.

-- 
FARHI Emmanuel <farhi at ill.fr>
Groupe DS/CS, ILL4/156, Tel (33) 4 76 20 71 35
ILL, Grenoble
 

Links:
------
[1]
https://www.ill.eu/instruments-support/instruments-groups/instruments/cyclops/description/instrument-layout/
[2] https://en.wikipedia.org/wiki/IDL_%28programming_language%29
[3] http://ifit.mccode.org/Models.html#mozTocId990577
[4] http://ifit.mccode.org/Treatment.html
[5] http://ifit.mccode.org/Downloads/iFit.zip
[6] http://ifit.mccode.org/Downloads/binary/win64/iFit-1.8-Setup64.exe
[7] http://ifit.mccode.org/Downloads/binary/glnx64/ifit-1.8-amd64.deb
[8] http://ifit.mccode.org/Models.html#mozTocId183326
[9] http://ifit.mccode.org/Downloads/binary/mac64/iFit-1.8.app.zip
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