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List of Threads Topics Author Replies Views Last Modified A question about basis set Peter Winey 2 2202 2006/07/10 23:49 by Peter Winey Forces and symmetry Peter Winey 2 2093 2006/07/10 23:28 by Peter Winey Database (2006) of PAO and VPS available T.Ozaki 2 1893 2006/06/30 23:54 by Peter Winey Installation - undefined reference Jan 1 2199 2006/06/27 23:11 by Jan How to fix the fault of running large-scale system Gn. Plott 1 1641 2006/06/16 11:32 by T.Ozaki magnetic moment jessK 3 1885 2006/06/14 11:30 by T.Ozaki adpack1.8: first deriv. discont. of excited states M. Gusso 1 1751 2006/06/13 22:10 by T.Ozaki adpack1.8: high grid.xmax parameter M. Gusso 1 1833 2006/06/13 22:02 by T.Ozaki Band, Cluster, and DC ? F Li 1 1667 2006/06/13 21:50 by T.Ozaki LBFGS optimizer jessK 1 1670 2006/06/06 20:34 by T.Ozaki K-point grid jessK 1 1930 2006/06/06 10:46 by T.Ozaki OpenMX in surface? JinLong 1 1565 2006/05/31 18:29 by T.Ozaki Running jobs in a directory other than "work" Peter Winey 3 2503 2006/05/24 11:15 by T.Ozaki Exception error with big system John Tse 1 1691 2006/05/19 11:52 by T.Ozaki parallel questions Jeason 1 2221 2006/05/12 10:44 by T.Ozaki Prof. John Tse 1 1639 2006/05/11 20:52 by T.Ozaki Bad installation Pavel B Sorokin 6 2935 2006/05/11 18:27 by Pavel B Sorokin Big carbon nanotube structure Vasilii Artyukhov 1 1865 2006/04/29 01:58 by T.Ozaki BBOP and OXON Hai-Ping Lan 1 1726 2006/04/24 18:50 by T.Ozaki Pseudo for N Veronika Listyani 1 1466 2006/04/21 21:51 by T.Ozaki Compilation error Jeason 3 2932 2006/04/21 21:49 by T.Ozaki Nonorthogonality Alexander Fedorov 1 1545 2006/04/21 21:46 by T.Ozaki How to extract data such as workfunction? Hai-Ping Lan 1 1613 2006/04/06 19:32 by T.Ozaki LAM/MPI compilation error Jeason 1 2365 2006/04/06 11:47 by T.Ozaki undefined reference to fftw... Veronika Listyani 1 3152 2006/04/06 11:42 by T.Ozaki traditional diagonalization veronika listyani 2 1656 2006/04/05 12:26 by Veronika Listyani illegal value for mathfunction Hai-Ping Lan 1 3940 2006/03/27 09:29 by T.Ozaki Runing Error of parallel version! Hai-Ping Lan 1 1863 2006/03/27 00:47 by T.Ozaki Compiling failure when linking mathlib Hai-Ping Lan 2 1805 2006/03/24 23:49 by Hai-Ping Lan Problems about CLAPACK Hai-Ping Lan 2 3508 2006/03/24 14:39 by Hai-Ping Lan Bugs in MD_pac.c of OpenMX Ver. 3.0 T.Ozaki 0 1596 2006/03/24 00:54 by T.Ozaki OpenMX Ver 3.0 release T.Ozaki 0 1388 2006/03/21 02:59 by T.Ozaki Problem with fftw-3.1 Jeong 0 1349 2006/03/15 05:49 by Jeong Could you generate the GGA pseudopotential opendx 0 1486 2006/03/04 23:26 by opendx big forces of cubic SrTiO3 Sergey 1 2107 2006/02/25 00:01 by Fumiyuki Ishii PAO file of charged atom T.Ozaki 0 1576 2006/02/05 05:36 by T.Ozaki Installation problem on Itanium ARIJIT 0 1914 2005/12/17 01:33 by ARIJIT Variable-cell optimization Pavel B Sorokin 1 1666 2005/12/10 08:09 by Sergey open shell systems peter 7 3709 2005/12/08 20:01 by T.Ozaki openmx runtime questions peter 2 4831 2005/12/08 19:54 by T.Ozaki uniform charged background peter 1 3104 2005/12/01 13:36 by T.Ozaki The difference between OpenMX and SIESTA Hai-Ping Lan 1 2624 2005/11/22 22:47 by T.Ozaki Mothod for calculation Spin-Orbital coupling? Liger Chen 1 2120 2005/11/18 14:55 by T.Ozaki Specifying initial magnetic moments jlrch 4 1854 2005/11/03 20:43 by T.Ozaki Problems with IBM compiler Sergey 5 2456 2005/11/02 08:35 by T.Ozaki Compilation problem Pavel B Sorokin 1 6507 2005/10/29 13:39 by T.Ozaki VPS and PAO files of Pt Watari, Noriko 4 2303 2005/10/21 15:07 by Watari, Noriko Trouble with carbon nanotubes calculation Paul 2 1324 2005/10/18 22:34 by Sergey Lisenkov PAO file name and adpack input Watari, Noriko 2 1778 2005/10/11 11:07 by Watari, Noriko OpenMX Installation problem in HP Unix 11i V2 TCOE sunlian 0 1581 2005/09/15 13:50 by sunlian

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