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A question about nanotube applications
Date: 2010/04/08 20:12
Name: Honggyu Kim   <honggyu@aces.snu.ac.kr>

I'm a graduate student majoring computer science and pretty new to this kind of scientific calculations.
I would like to get an application related to nanotube calculations to estimate the computer system as a benchmark.

The current status is that I have compiled openmx and clapack just like I described in the following thread.
http://www.openmx-square.org/forum/patio.cgi?mode=view&no=960
I run "openmx" following tutorial, but it seems to do many different calculations with a single binary.

I have found "BentNT.c" which is described "program for generating a structure of a bented carbon nanotube", but I don't know how to use the input file generated by this.

I'm wondering if I can get a separate binary related to nanotube calculations.
I will appreciate all your help.
Thanks.
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