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List of Threads Topics Author Replies Views Last Modified Segmentation Fault for openMX MPI version 3.0 KC 4 2585 2006/09/29 14:31 by T.Ozaki Dr. Hyuk Soon Choi 2 2063 2006/09/29 09:31 by Hyuk Soon Choi scf converge problem Liger Chen 2 2334 2006/09/26 16:01 by Liger Chen Hard to converge for geometric optimizer. Xinyuan Zhang 7 1728 2006/09/21 16:56 by Xinyuan what is the meaning of the error warning ? Liger Cheb 3 4047 2006/09/20 14:56 by Liger Chen Calculation of Work Function with Yukihiro Okuno 1 2753 2006/09/19 10:53 by T.Ozaki B-BOP Xinyuan Zhang 1 1945 2006/09/19 10:41 by T.Ozaki Help with NVT Si Bulk Simulation Ravi M 2 2105 2006/08/25 12:51 by Ravi M Miss christine 1 1637 2006/08/18 12:58 by T.Ozaki memory issues jessK 1 1735 2006/08/11 09:10 by T.Ozaki A unknown problem Xinyuan Zhang 1 1768 2006/08/11 09:02 by T.Ozaki Tetrahedron method applicability Vasilii Artyukhov 1 2019 2006/08/11 09:00 by T.Ozaki A question about basis set Peter Winey 2 2375 2006/07/10 23:49 by Peter Winey Forces and symmetry Peter Winey 2 2327 2006/07/10 23:28 by Peter Winey Database (2006) of PAO and VPS available T.Ozaki 2 2084 2006/06/30 23:54 by Peter Winey Installation - undefined reference Jan 1 2374 2006/06/27 23:11 by Jan How to fix the fault of running large-scale system Gn. Plott 1 1795 2006/06/16 11:32 by T.Ozaki magnetic moment jessK 3 2137 2006/06/14 11:30 by T.Ozaki adpack1.8: first deriv. discont. of excited states M. Gusso 1 1912 2006/06/13 22:10 by T.Ozaki adpack1.8: high grid.xmax parameter M. Gusso 1 2001 2006/06/13 22:02 by T.Ozaki Band, Cluster, and DC ? F Li 1 1826 2006/06/13 21:50 by T.Ozaki LBFGS optimizer jessK 1 1801 2006/06/06 20:34 by T.Ozaki K-point grid jessK 1 2083 2006/06/06 10:46 by T.Ozaki OpenMX in surface? JinLong 1 1712 2006/05/31 18:29 by T.Ozaki Running jobs in a directory other than "work" Peter Winey 3 2697 2006/05/24 11:15 by T.Ozaki Exception error with big system John Tse 1 1870 2006/05/19 11:52 by T.Ozaki parallel questions Jeason 1 2362 2006/05/12 10:44 by T.Ozaki Prof. John Tse 1 1792 2006/05/11 20:52 by T.Ozaki Bad installation Pavel B Sorokin 6 3103 2006/05/11 18:27 by Pavel B Sorokin Big carbon nanotube structure Vasilii Artyukhov 1 2023 2006/04/29 01:58 by T.Ozaki BBOP and OXON Hai-Ping Lan 1 1862 2006/04/24 18:50 by T.Ozaki Pseudo for N Veronika Listyani 1 1630 2006/04/21 21:51 by T.Ozaki Compilation error Jeason 3 3087 2006/04/21 21:49 by T.Ozaki Nonorthogonality Alexander Fedorov 1 1687 2006/04/21 21:46 by T.Ozaki How to extract data such as workfunction? Hai-Ping Lan 1 1780 2006/04/06 19:32 by T.Ozaki LAM/MPI compilation error Jeason 1 2527 2006/04/06 11:47 by T.Ozaki undefined reference to fftw... Veronika Listyani 1 3328 2006/04/06 11:42 by T.Ozaki traditional diagonalization veronika listyani 2 1812 2006/04/05 12:26 by Veronika Listyani illegal value for mathfunction Hai-Ping Lan 1 4110 2006/03/27 09:29 by T.Ozaki Runing Error of parallel version! Hai-Ping Lan 1 2037 2006/03/27 00:47 by T.Ozaki Compiling failure when linking mathlib Hai-Ping Lan 2 1944 2006/03/24 23:49 by Hai-Ping Lan Problems about CLAPACK Hai-Ping Lan 2 3692 2006/03/24 14:39 by Hai-Ping Lan Bugs in MD_pac.c of OpenMX Ver. 3.0 T.Ozaki 0 1779 2006/03/24 00:54 by T.Ozaki OpenMX Ver 3.0 release T.Ozaki 0 1558 2006/03/21 02:59 by T.Ozaki Problem with fftw-3.1 Jeong 0 1471 2006/03/15 05:49 by Jeong Could you generate the GGA pseudopotential opendx 0 1619 2006/03/04 23:26 by opendx big forces of cubic SrTiO3 Sergey 1 2281 2006/02/25 00:01 by Fumiyuki Ishii PAO file of charged atom T.Ozaki 0 1753 2006/02/05 05:36 by T.Ozaki Installation problem on Itanium ARIJIT 0 2049 2005/12/17 01:33 by ARIJIT Variable-cell optimization Pavel B Sorokin 1 1813 2005/12/10 08:09 by Sergey

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