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Re: [abinit-forum] rprim

From: jinhong zhang <zhangjinhong2009@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] rprim
Date: Sun, 20 Dec 2009 14:31:47 +0800
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Hi, give xred, angdeg and acell, and then calculate anything, you can get the rpim from the out file.

Actually, you do not have to give rpim, because angdeg is equivalent to rpim. However acell is necessary.

Hope it would help, good luck :P

2009/12/19 Bahareh Malvandi <bahareh_malvandi@yahoo.com>

hi
could you help me to find rpim for rhombohedral structure or monoclinic?
xred
0.2500 0.2500 0.2500
    0.7500 0.7500 0.7500
    0.0000 0.0000 0.0000
    0.5000 0.5000 0.5000
    0.1982 0.3018 0.7500
    0.8018 0.6982 0.2500
    0.3018 0.7500 0.1982
    0.6982 0.2500 0.8018
    0.7500 0.1982 0.3018
    0.2500 0.8018 0.6982

angdeg    60.798 60.798 60.798

best regards

[abinit-forum] rprim, Bahareh Malvandi, 12/19/2009
- Re: [abinit-forum] rprim, Aldo Humberto Romero, 12/19/2009
- Re: [abinit-forum] rprim, lan haiping, 12/20/2009
- Re: [abinit-forum] rprim, jinhong zhang, 12/20/2009