Top Page > Browsing

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

Page: [1]

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 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

Page: [1]