VMD-L Mailing List
From: Khanal Rabi (rkhanal_at_ictp.it)
Date: Thu Feb 28 2013 - 19:19:06 CST
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Hi Dr. Kohlmeyer,
I'm having trouble while calculating gofr from vasp trajectory using
plug-in in vmd-1.9.1
my unit cell parameters are
a = 16.77914
b = 16.77914
c = 16.77914
alpha = 50.4788
beta = 50.4788
gamam = 50.4788
I saw it can do only for orthorhombic unit cell is there any way so that I
can calculate gofr for this cell with using PBC.
Thank you
sincerely yours,
Rabi Khanal
PhD student
Missuouri Sci & Tech
- Next message: Bharath K. Srikanth: "Radial pair distribution function"
- Previous message: Robert Johnson: "Re: Displaying Flat Cross-Sections Using Surface Representation"
- Next in thread: Axel Kohlmeyer: "Re: gofr with PBC"
- Reply: Axel Kohlmeyer: "Re: gofr with PBC"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
