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List of Threads Topics Author Replies Views Last Modified OpenMX Ver.3.1 available T.Ozaki 0 1585 2006/11/04 01:48 by T.Ozaki Velocities in MD Pavel 1 1569 2006/11/04 01:28 by T.Ozaki DosMain question. Liger Chen 1 1799 2006/11/04 01:26 by T.Ozaki error while testing Methane.dat Kevin 2 2051 2006/11/03 20:40 by Kevin Polarization in BaTiO3 jessK 1 3240 2006/11/01 10:15 by T.Ozaki LDA+U energy jessK 2 2188 2006/10/18 23:06 by jessK runtest problem in opteron h. Jeong 1 1771 2006/10/12 23:56 by T.Ozaki is it possible for plus diffuse orbital ? Liger Chen 1 1943 2006/10/12 23:01 by T.Ozaki Binding energy calculation K. Bart 1 2747 2006/10/12 22:52 by T.Ozaki error message ...p4_error: interrupt SIGSEGV: 11.. Liger Chen 1 8073 2006/10/12 22:36 by T.Ozaki Transition state search on OpenMX Dung Tien 2 2079 2006/10/04 11:10 by Dung Tien STM image Pavel 1 1716 2006/10/03 23:23 by T.Ozaki Segmentation Fault for openMX MPI version 3.0 KC 4 2655 2006/09/29 14:31 by T.Ozaki Dr. Hyuk Soon Choi 2 2119 2006/09/29 09:31 by Hyuk Soon Choi scf converge problem Liger Chen 2 2387 2006/09/26 16:01 by Liger Chen Hard to converge for geometric optimizer. Xinyuan Zhang 7 1835 2006/09/21 16:56 by Xinyuan what is the meaning of the error warning ? Liger Cheb 3 4089 2006/09/20 14:56 by Liger Chen Calculation of Work Function with Yukihiro Okuno 1 2821 2006/09/19 10:53 by T.Ozaki B-BOP Xinyuan Zhang 1 1989 2006/09/19 10:41 by T.Ozaki Help with NVT Si Bulk Simulation Ravi M 2 2153 2006/08/25 12:51 by Ravi M Miss christine 1 1684 2006/08/18 12:58 by T.Ozaki memory issues jessK 1 1776 2006/08/11 09:10 by T.Ozaki A unknown problem Xinyuan Zhang 1 1834 2006/08/11 09:02 by T.Ozaki Tetrahedron method applicability Vasilii Artyukhov 1 2064 2006/08/11 09:00 by T.Ozaki A question about basis set Peter Winey 2 2418 2006/07/10 23:49 by Peter Winey Forces and symmetry Peter Winey 2 2388 2006/07/10 23:28 by Peter Winey Database (2006) of PAO and VPS available T.Ozaki 2 2138 2006/06/30 23:54 by Peter Winey Installation - undefined reference Jan 1 2424 2006/06/27 23:11 by Jan How to fix the fault of running large-scale system Gn. Plott 1 1838 2006/06/16 11:32 by T.Ozaki magnetic moment jessK 3 2205 2006/06/14 11:30 by T.Ozaki adpack1.8: first deriv. discont. of excited states M. Gusso 1 1955 2006/06/13 22:10 by T.Ozaki adpack1.8: high grid.xmax parameter M. Gusso 1 2052 2006/06/13 22:02 by T.Ozaki Band, Cluster, and DC ? F Li 1 1873 2006/06/13 21:50 by T.Ozaki LBFGS optimizer jessK 1 1846 2006/06/06 20:34 by T.Ozaki K-point grid jessK 1 2129 2006/06/06 10:46 by T.Ozaki OpenMX in surface? JinLong 1 1762 2006/05/31 18:29 by T.Ozaki Running jobs in a directory other than "work" Peter Winey 3 2771 2006/05/24 11:15 by T.Ozaki Exception error with big system John Tse 1 1940 2006/05/19 11:52 by T.Ozaki parallel questions Jeason 1 2411 2006/05/12 10:44 by T.Ozaki Prof. John Tse 1 1835 2006/05/11 20:52 by T.Ozaki Bad installation Pavel B Sorokin 6 3151 2006/05/11 18:27 by Pavel B Sorokin Big carbon nanotube structure Vasilii Artyukhov 1 2077 2006/04/29 01:58 by T.Ozaki BBOP and OXON Hai-Ping Lan 1 1907 2006/04/24 18:50 by T.Ozaki Pseudo for N Veronika Listyani 1 1688 2006/04/21 21:51 by T.Ozaki Compilation error Jeason 3 3144 2006/04/21 21:49 by T.Ozaki Nonorthogonality Alexander Fedorov 1 1733 2006/04/21 21:46 by T.Ozaki How to extract data such as workfunction? Hai-Ping Lan 1 1826 2006/04/06 19:32 by T.Ozaki LAM/MPI compilation error Jeason 1 2584 2006/04/06 11:47 by T.Ozaki undefined reference to fftw... Veronika Listyani 1 3379 2006/04/06 11:42 by T.Ozaki traditional diagonalization veronika listyani 2 1876 2006/04/05 12:26 by Veronika Listyani

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