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[abinit-forum] AIM utility: problem with vpts

From: Prasun Sharma Chowdhury <psc1983@gmail.com>
To: forum@abinit.org
Subject: [abinit-forum] AIM utility: problem with vpts
Date: Wed, 8 Jul 2009 18:45:30 +0530
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Dear abinit users,

Will it be fruitful if i use the "aim" utility to obtain the total electron density contour plots for any metallic sample? i want to obtain those data for Zr sample and want to compare with the experimental one.

Moreover, in the aim utility, i can't use the driver called "denout" because i don't know in what form i have to input the vpts.... can anyone help me? In the input file, i written vpts as...

vpts [0.0,0.0,0.25] [0.0,1.0,0.25] [1.0,1.0,0.25]

ngrid [30,30]

is that format correct? if not, then how should i write them?

thanking you all

prasun

[abinit-forum] AIM utility: problem with vpts, Prasun Sharma Chowdhury, 07/08/2009