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List of Threads Topics Author Replies Views Last Modified a suggestion alex 1 1770 2006/11/29 14:17 by T.Ozaki Trouble reading standard input Vasilii Artyukhov 1 1751 2006/11/29 14:00 by T.Ozaki Constraint_Opt/DIIS in OPENMX 3.1 Thomas Gallauner 1 1789 2006/11/29 13:20 by T.Ozaki Can you show me to detail use of OpenMX program? Mr.Cong 1 1981 2006/11/22 02:03 by Pavel about charged molecule Xinyuan Zhang 2 2507 2006/11/22 01:13 by Xinyuan Zhang q: charges? basis sets/potentials validation? Grigory 2 1959 2006/11/18 22:59 by Grigory Bug fixed in OpenMX3.1, No.2 T.Ozaki 0 1689 2006/11/17 00:44 by T.Ozaki Initial spin charges question? Dung Tien 2 2139 2006/11/15 22:38 by Dung Tien Bug fixed in OpenMX3.1, No.1 T.Ozaki 0 1700 2006/11/13 15:45 by T.Ozaki install problem for 3.1 verson Liger Chen 1 1634 2006/11/10 18:26 by Liger Chen Does B-Bop do DOS? Vasilii Artyukhov 2 1555 2006/11/09 22:04 by Vasilii Artyukhov the molecular orbital Xinyuan Zhang 1 2100 2006/11/09 11:15 by T.Ozaki DOS of hcp Gd metal Dr. Xubo Liu 0 2402 2006/11/06 03:34 by Dr. Xubo Liu Magnetic moment in cubic SrRuO3 JessK 3 4274 2006/11/05 00:05 by T.Ozaki Memory Usage Kevin 2 1975 2006/11/04 06:41 by JessK non convergence calculation problem! sabri 1 2321 2006/11/04 02:12 by T.Ozaki OpenMX Ver.3.1 available T.Ozaki 0 1513 2006/11/04 01:48 by T.Ozaki Velocities in MD Pavel 1 1494 2006/11/04 01:28 by T.Ozaki DosMain question. Liger Chen 1 1733 2006/11/04 01:26 by T.Ozaki error while testing Methane.dat Kevin 2 1953 2006/11/03 20:40 by Kevin Polarization in BaTiO3 jessK 1 3163 2006/11/01 10:15 by T.Ozaki LDA+U energy jessK 2 2093 2006/10/18 23:06 by jessK runtest problem in opteron h. Jeong 1 1699 2006/10/12 23:56 by T.Ozaki is it possible for plus diffuse orbital ? Liger Chen 1 1872 2006/10/12 23:01 by T.Ozaki Binding energy calculation K. Bart 1 2637 2006/10/12 22:52 by T.Ozaki error message ...p4_error: interrupt SIGSEGV: 11.. Liger Chen 1 7914 2006/10/12 22:36 by T.Ozaki Transition state search on OpenMX Dung Tien 2 1997 2006/10/04 11:10 by Dung Tien STM image Pavel 1 1646 2006/10/03 23:23 by T.Ozaki Segmentation Fault for openMX MPI version 3.0 KC 4 2556 2006/09/29 14:31 by T.Ozaki Dr. Hyuk Soon Choi 2 2035 2006/09/29 09:31 by Hyuk Soon Choi scf converge problem Liger Chen 2 2310 2006/09/26 16:01 by Liger Chen Hard to converge for geometric optimizer. Xinyuan Zhang 7 1665 2006/09/21 16:56 by Xinyuan what is the meaning of the error warning ? Liger Cheb 3 4011 2006/09/20 14:56 by Liger Chen Calculation of Work Function with Yukihiro Okuno 1 2714 2006/09/19 10:53 by T.Ozaki B-BOP Xinyuan Zhang 1 1916 2006/09/19 10:41 by T.Ozaki Help with NVT Si Bulk Simulation Ravi M 2 2078 2006/08/25 12:51 by Ravi M Miss christine 1 1608 2006/08/18 12:58 by T.Ozaki memory issues jessK 1 1706 2006/08/11 09:10 by T.Ozaki A unknown problem Xinyuan Zhang 1 1731 2006/08/11 09:02 by T.Ozaki Tetrahedron method applicability Vasilii Artyukhov 1 1992 2006/08/11 09:00 by T.Ozaki A question about basis set Peter Winey 2 2346 2006/07/10 23:49 by Peter Winey Forces and symmetry Peter Winey 2 2293 2006/07/10 23:28 by Peter Winey Database (2006) of PAO and VPS available T.Ozaki 2 2053 2006/06/30 23:54 by Peter Winey Installation - undefined reference Jan 1 2350 2006/06/27 23:11 by Jan How to fix the fault of running large-scale system Gn. Plott 1 1772 2006/06/16 11:32 by T.Ozaki magnetic moment jessK 3 2099 2006/06/14 11:30 by T.Ozaki adpack1.8: first deriv. discont. of excited states M. Gusso 1 1887 2006/06/13 22:10 by T.Ozaki adpack1.8: high grid.xmax parameter M. Gusso 1 1970 2006/06/13 22:02 by T.Ozaki Band, Cluster, and DC ? F Li 1 1801 2006/06/13 21:50 by T.Ozaki LBFGS optimizer jessK 1 1776 2006/06/06 20:34 by T.Ozaki

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