Using CrystalMaker  [SOLVED]

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

Moderators: MMNSchmitt, gonze

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amir
Posts: 19
Joined: Fri Oct 24, 2014 8:44 pm

Using CrystalMaker

Post by amir » Sat Oct 17, 2015 10:17 am

Hi,

I am wondering if we can use CrystalMaker o visualize the result of our calculations. Can we change the format of our files o something that CrystalMaker can read?

Thanks :)

Jordan
Posts: 282
Joined: Tue May 07, 2013 9:47 am

Re: Using CrystalMaker  [SOLVED]

Post by Jordan » Mon Oct 19, 2015 8:32 am

I don't know for crystalmake but you check all the prt* variable to write things in different format like xml, posca or cif.
Vesta will read for sure the cif and poscar file.
You can also generate a density file or potential file with prtden and use the cut3d tool included in abinit to produce a file that can be read by xcrysden.
An other option is to use Vsim with the abinit plugin to visualize the abinit input file.
Yet another tool is (still under heavy development but working) abiout which is available and ready to use on linux mac and windows. You can just drop an abinit input file or _OUT.nc file ou _HIST file in the main windows

amir
Posts: 19
Joined: Fri Oct 24, 2014 8:44 pm

Re: Using CrystalMaker

Post by amir » Wed Dec 09, 2015 8:07 pm

Thank you very much Jordan. Very useful information.

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