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traditional diagonalization
Date: 2006/03/31 12:44
Name: veronika listyani   <eulis5173@yahoo.com>

Hai all,

I want to calculate band structure and fermi energy of several isolated G-G and A-A dimers (DNA molecules). I have asked the siesta team for this matter, but they said that to calculate that molecule i don't need to use order(N) method, instead traditional diagonalization is enough. does openMX support this method? and can i use it for my calculation? thanx.

regards,
veronika listyani
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Re: traditional diagonalization ( No.1 )
Date: 2006/04/03 10:25
Name: T.Ozaki

Hi,

OpenMX supports conventional diagonalization schemes which can be
used for your calculations.

Regards,

TO
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Re: traditional diagonalization ( No.2 )
Date: 2006/04/05 12:26
Name: Veronika Listyani  <sile_drops@yahoo.com>

Hai,

You said that openMX support conventional diagonalization, right?! what about SIESTA, does it support conventional diagonalization too? also, i downloaded the openmx3.0.tar.gz, but when i want to tar it using 'tar zxvf openmx3.0.tar.gz', this message appeared:

gzip: stdin: unexpected end of file
tar: Unexpected EOF in archive
tar: Unexpected EOF in archive
tar: Error is not recoverable: exiting now

What is wrong with it? i tried to download it again, and tar it again. but the result is the same. on the first tar there are only 2 directories in the openmx directory: DFT_DATA and SOURCE. but on the second tar there is only DFT_DATA directory. how to get the full package? thanks.

regards,
veronika listyani
メンテ

Page: [1]