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List of Threads Topics Author Replies Views Last Modified Could you generate the GGA pseudopotential opendx 0 1571 2006/03/04 23:26 by opendx big forces of cubic SrTiO3 Sergey 1 2222 2006/02/25 00:01 by Fumiyuki Ishii PAO file of charged atom T.Ozaki 0 1689 2006/02/05 05:36 by T.Ozaki Installation problem on Itanium ARIJIT 0 2003 2005/12/17 01:33 by ARIJIT Variable-cell optimization Pavel B Sorokin 1 1763 2005/12/10 08:09 by Sergey open shell systems peter 7 3861 2005/12/08 20:01 by T.Ozaki openmx runtime questions peter 2 4922 2005/12/08 19:54 by T.Ozaki uniform charged background peter 1 3237 2005/12/01 13:36 by T.Ozaki The difference between OpenMX and SIESTA Hai-Ping Lan 1 2750 2005/11/22 22:47 by T.Ozaki Mothod for calculation Spin-Orbital coupling? Liger Chen 1 2199 2005/11/18 14:55 by T.Ozaki Specifying initial magnetic moments jlrch 4 1965 2005/11/03 20:43 by T.Ozaki Problems with IBM compiler Sergey 5 2551 2005/11/02 08:35 by T.Ozaki Compilation problem Pavel B Sorokin 1 6803 2005/10/29 13:39 by T.Ozaki VPS and PAO files of Pt Watari, Noriko 4 2413 2005/10/21 15:07 by Watari, Noriko Trouble with carbon nanotubes calculation Paul 2 1418 2005/10/18 22:34 by Sergey Lisenkov PAO file name and adpack input Watari, Noriko 2 1866 2005/10/11 11:07 by Watari, Noriko OpenMX Installation problem in HP Unix 11i V2 TCOE sunlian 0 1658 2005/09/15 13:50 by sunlian Job dies after last "Num. of grids overlapping" Rudy Coquet 1 2524 2005/09/06 12:39 by T.Ozaki Error in dstevx Eyvaz Isaev 2 2111 2005/09/02 08:57 by Sergey Lisenkov OpenMX hanging Rudy Coquet 1 1737 2005/08/26 18:59 by Rudy Coquet Can OpenMX do the dielectric-function calcu ? Liger Chen 1 1918 2005/06/09 20:33 by Hiori Kino crash on blade center system Chong, Sang Hyuk 3 1897 2005/06/02 08:57 by Chong, Sang Hyuk OpenMX Installation problem in EM64T Chang Sung LEE 2 2024 2005/06/01 01:23 by Sergey Lisenkov OpenMX crashes with Orbital Optimization Michele Gusso 1 2232 2005/05/22 01:22 by T.Ozaki about restart file s. j. luo 1 1763 2005/04/28 21:45 by T.Ozaki Reminder: souce code of OpenMX2.73 is available T.Ozaki 0 1684 2005/04/20 18:27 by T.Ozaki Num. of grids overlapping with atom * = 0 s. j. luo 3 2361 2005/04/20 01:33 by T.Ozaki found minus eigenvalues of OLP at kloop=13 k1= 0 k s. j. luo 1 1924 2005/04/19 23:09 by T.Ozaki Installation I. Bandyopadhyay 2 2111 2005/04/19 14:26 by Hao Chang about computional memory consuming Brighton Yan 1 1889 2005/04/13 10:55 by T.Ozaki about MPI Hao Chang 1 1751 2005/04/12 19:26 by T.Ozaki about LDA band gap of bulk Si Brighton Yan 2 4468 2005/04/10 12:21 by Brighton Yan a bug fixed in ADPACK1.8 T.Ozaki 0 1727 2005/04/07 18:22 by T.Ozaki about LDA+U Hao Chang 1 1950 2005/03/31 15:40 by T.Ozaki how to use *.RST.tar s. j. luo 1 1803 2005/03/26 21:17 by T.Ozaki OpenMX hangs on Band calc and DOS Ken Lux 5 2903 2005/03/26 12:42 by s. j. luo Adpack1.8 with linux - crashes Ken Lux 2 2269 2005/02/15 17:26 by Ken Lux Visualize Guassian cube files zhufeng 1 3555 2005/01/21 15:52 by T. Ozaki

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