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List of Threads Topics Author Replies Views Last Modified q: charges? basis sets/potentials validation? Grigory 2 1882 2006/11/18 22:59 by Grigory Bug fixed in OpenMX3.1, No.2 T.Ozaki 0 1621 2006/11/17 00:44 by T.Ozaki Initial spin charges question? Dung Tien 2 2075 2006/11/15 22:38 by Dung Tien Bug fixed in OpenMX3.1, No.1 T.Ozaki 0 1632 2006/11/13 15:45 by T.Ozaki install problem for 3.1 verson Liger Chen 1 1569 2006/11/10 18:26 by Liger Chen Does B-Bop do DOS? Vasilii Artyukhov 2 1498 2006/11/09 22:04 by Vasilii Artyukhov the molecular orbital Xinyuan Zhang 1 2024 2006/11/09 11:15 by T.Ozaki DOS of hcp Gd metal Dr. Xubo Liu 0 2307 2006/11/06 03:34 by Dr. Xubo Liu Magnetic moment in cubic SrRuO3 JessK 3 4198 2006/11/05 00:05 by T.Ozaki Memory Usage Kevin 2 1901 2006/11/04 06:41 by JessK non convergence calculation problem! sabri 1 2254 2006/11/04 02:12 by T.Ozaki OpenMX Ver.3.1 available T.Ozaki 0 1457 2006/11/04 01:48 by T.Ozaki Velocities in MD Pavel 1 1431 2006/11/04 01:28 by T.Ozaki DosMain question. Liger Chen 1 1683 2006/11/04 01:26 by T.Ozaki error while testing Methane.dat Kevin 2 1888 2006/11/03 20:40 by Kevin Polarization in BaTiO3 jessK 1 3053 2006/11/01 10:15 by T.Ozaki LDA+U energy jessK 2 1996 2006/10/18 23:06 by jessK runtest problem in opteron h. Jeong 1 1629 2006/10/12 23:56 by T.Ozaki is it possible for plus diffuse orbital ? Liger Chen 1 1783 2006/10/12 23:01 by T.Ozaki Binding energy calculation K. Bart 1 2557 2006/10/12 22:52 by T.Ozaki error message ...p4_error: interrupt SIGSEGV: 11.. Liger Chen 1 7742 2006/10/12 22:36 by T.Ozaki Transition state search on OpenMX Dung Tien 2 1918 2006/10/04 11:10 by Dung Tien STM image Pavel 1 1579 2006/10/03 23:23 by T.Ozaki Segmentation Fault for openMX MPI version 3.0 KC 4 2481 2006/09/29 14:31 by T.Ozaki Dr. Hyuk Soon Choi 2 1945 2006/09/29 09:31 by Hyuk Soon Choi scf converge problem Liger Chen 2 2240 2006/09/26 16:01 by Liger Chen Hard to converge for geometric optimizer. Xinyuan Zhang 7 1474 2006/09/21 16:56 by Xinyuan what is the meaning of the error warning ? Liger Cheb 3 3923 2006/09/20 14:56 by Liger Chen Calculation of Work Function with Yukihiro Okuno 1 2607 2006/09/19 10:53 by T.Ozaki B-BOP Xinyuan Zhang 1 1826 2006/09/19 10:41 by T.Ozaki Help with NVT Si Bulk Simulation Ravi M 2 2008 2006/08/25 12:51 by Ravi M Miss christine 1 1538 2006/08/18 12:58 by T.Ozaki memory issues jessK 1 1633 2006/08/11 09:10 by T.Ozaki A unknown problem Xinyuan Zhang 1 1655 2006/08/11 09:02 by T.Ozaki Tetrahedron method applicability Vasilii Artyukhov 1 1905 2006/08/11 09:00 by T.Ozaki A question about basis set Peter Winey 2 2262 2006/07/10 23:49 by Peter Winey Forces and symmetry Peter Winey 2 2182 2006/07/10 23:28 by Peter Winey Database (2006) of PAO and VPS available T.Ozaki 2 1958 2006/06/30 23:54 by Peter Winey Installation - undefined reference Jan 1 2261 2006/06/27 23:11 by Jan How to fix the fault of running large-scale system Gn. Plott 1 1691 2006/06/16 11:32 by T.Ozaki magnetic moment jessK 3 1978 2006/06/14 11:30 by T.Ozaki adpack1.8: first deriv. discont. of excited states M. Gusso 1 1807 2006/06/13 22:10 by T.Ozaki adpack1.8: high grid.xmax parameter M. Gusso 1 1890 2006/06/13 22:02 by T.Ozaki Band, Cluster, and DC ? F Li 1 1727 2006/06/13 21:50 by T.Ozaki LBFGS optimizer jessK 1 1720 2006/06/06 20:34 by T.Ozaki K-point grid jessK 1 1987 2006/06/06 10:46 by T.Ozaki OpenMX in surface? JinLong 1 1623 2006/05/31 18:29 by T.Ozaki Running jobs in a directory other than "work" Peter Winey 3 2582 2006/05/24 11:15 by T.Ozaki Exception error with big system John Tse 1 1754 2006/05/19 11:52 by T.Ozaki parallel questions Jeason 1 2280 2006/05/12 10:44 by T.Ozaki

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