**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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