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List of Threads Topics Author Replies Views Last Modified Polarization in BaTiO3 jessK 1 3027 2006/11/01 10:15 by T.Ozaki LDA+U energy jessK 2 1967 2006/10/18 23:06 by jessK runtest problem in opteron h. Jeong 1 1612 2006/10/12 23:56 by T.Ozaki is it possible for plus diffuse orbital ? Liger Chen 1 1762 2006/10/12 23:01 by T.Ozaki Binding energy calculation K. Bart 1 2536 2006/10/12 22:52 by T.Ozaki error message ...p4_error: interrupt SIGSEGV: 11.. Liger Chen 1 7683 2006/10/12 22:36 by T.Ozaki Transition state search on OpenMX Dung Tien 2 1899 2006/10/04 11:10 by Dung Tien STM image Pavel 1 1564 2006/10/03 23:23 by T.Ozaki Segmentation Fault for openMX MPI version 3.0 KC 4 2459 2006/09/29 14:31 by T.Ozaki Dr. Hyuk Soon Choi 2 1922 2006/09/29 09:31 by Hyuk Soon Choi scf converge problem Liger Chen 2 2220 2006/09/26 16:01 by Liger Chen Hard to converge for geometric optimizer. Xinyuan Zhang 7 1410 2006/09/21 16:56 by Xinyuan what is the meaning of the error warning ? Liger Cheb 3 3899 2006/09/20 14:56 by Liger Chen Calculation of Work Function with Yukihiro Okuno 1 2581 2006/09/19 10:53 by T.Ozaki B-BOP Xinyuan Zhang 1 1809 2006/09/19 10:41 by T.Ozaki Help with NVT Si Bulk Simulation Ravi M 2 1987 2006/08/25 12:51 by Ravi M Miss christine 1 1517 2006/08/18 12:58 by T.Ozaki memory issues jessK 1 1612 2006/08/11 09:10 by T.Ozaki A unknown problem Xinyuan Zhang 1 1634 2006/08/11 09:02 by T.Ozaki Tetrahedron method applicability Vasilii Artyukhov 1 1892 2006/08/11 09:00 by T.Ozaki A question about basis set Peter Winey 2 2241 2006/07/10 23:49 by Peter Winey Forces and symmetry Peter Winey 2 2147 2006/07/10 23:28 by Peter Winey Database (2006) of PAO and VPS available T.Ozaki 2 1932 2006/06/30 23:54 by Peter Winey Installation - undefined reference Jan 1 2238 2006/06/27 23:11 by Jan How to fix the fault of running large-scale system Gn. Plott 1 1675 2006/06/16 11:32 by T.Ozaki magnetic moment jessK 3 1939 2006/06/14 11:30 by T.Ozaki adpack1.8: first deriv. discont. of excited states M. Gusso 1 1792 2006/06/13 22:10 by T.Ozaki adpack1.8: high grid.xmax parameter M. Gusso 1 1874 2006/06/13 22:02 by T.Ozaki Band, Cluster, and DC ? F Li 1 1705 2006/06/13 21:50 by T.Ozaki LBFGS optimizer jessK 1 1705 2006/06/06 20:34 by T.Ozaki K-point grid jessK 1 1966 2006/06/06 10:46 by T.Ozaki OpenMX in surface? JinLong 1 1602 2006/05/31 18:29 by T.Ozaki Running jobs in a directory other than "work" Peter Winey 3 2559 2006/05/24 11:15 by T.Ozaki Exception error with big system John Tse 1 1730 2006/05/19 11:52 by T.Ozaki parallel questions Jeason 1 2262 2006/05/12 10:44 by T.Ozaki Prof. John Tse 1 1671 2006/05/11 20:52 by T.Ozaki Bad installation Pavel B Sorokin 6 2977 2006/05/11 18:27 by Pavel B Sorokin Big carbon nanotube structure Vasilii Artyukhov 1 1905 2006/04/29 01:58 by T.Ozaki BBOP and OXON Hai-Ping Lan 1 1764 2006/04/24 18:50 by T.Ozaki Pseudo for N Veronika Listyani 1 1503 2006/04/21 21:51 by T.Ozaki Compilation error Jeason 3 2977 2006/04/21 21:49 by T.Ozaki Nonorthogonality Alexander Fedorov 1 1585 2006/04/21 21:46 by T.Ozaki How to extract data such as workfunction? Hai-Ping Lan 1 1647 2006/04/06 19:32 by T.Ozaki LAM/MPI compilation error Jeason 1 2410 2006/04/06 11:47 by T.Ozaki undefined reference to fftw... Veronika Listyani 1 3195 2006/04/06 11:42 by T.Ozaki traditional diagonalization veronika listyani 2 1693 2006/04/05 12:26 by Veronika Listyani illegal value for mathfunction Hai-Ping Lan 1 3982 2006/03/27 09:29 by T.Ozaki Runing Error of parallel version! Hai-Ping Lan 1 1905 2006/03/27 00:47 by T.Ozaki Compiling failure when linking mathlib Hai-Ping Lan 2 1845 2006/03/24 23:49 by Hai-Ping Lan Problems about CLAPACK Hai-Ping Lan 2 3554 2006/03/24 14:39 by Hai-Ping Lan

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