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List of Threads Topics Author Replies Views Last Modified adapack1.8 - Generate_VNL.c routine Michele Gusso 0 1996 2007/01/17 19:19 by Michele Gusso Adpack and partial core correction Guillaume Lucas 1 1792 2007/01/16 00:02 by Guillaume Lucas large systems JessK 3 2153 2007/01/13 01:27 by jessK Happy New Year to All OpenMX Users! Dung Tien 0 2204 2006/12/31 12:15 by Dung Tien Dimer binding energy Alexandre Tkatchenko 8 4915 2006/12/28 00:22 by T.Ozaki small suggestion hungdt 1 1777 2006/12/18 19:32 by T.Ozaki Ceperly Alder Exchange-Correlation Michele Gusso 1 2176 2006/12/07 11:51 by T.Ozaki coud you show me how to setup OnpenMX in Win Oper? Mr.Cong 7 2279 2006/12/06 05:15 by alex Publications Vasilii Artyukhov 3 1919 2006/12/05 23:56 by Vasilii Artyukhov How to construct peudopotential of fictitious atom Xinyuan Zhang 3 1973 2006/12/01 23:49 by Vasilii Artyukhov opteron compilation error Aloysius 1 2306 2006/12/01 18:23 by T.Ozaki About Transport calculation Hai-Ping Lan 3 2409 2006/12/01 10:53 by T.Ozaki Charged System calculation Hai-Ping Lan 1 1760 2006/11/29 14:31 by T.Ozaki a suggestion alex 1 1653 2006/11/29 14:17 by T.Ozaki Trouble reading standard input Vasilii Artyukhov 1 1655 2006/11/29 14:00 by T.Ozaki Constraint_Opt/DIIS in OPENMX 3.1 Thomas Gallauner 1 1659 2006/11/29 13:20 by T.Ozaki Can you show me to detail use of OpenMX program? Mr.Cong 1 1863 2006/11/22 02:03 by Pavel about charged molecule Xinyuan Zhang 2 2392 2006/11/22 01:13 by Xinyuan Zhang q: charges? basis sets/potentials validation? Grigory 2 1835 2006/11/18 22:59 by Grigory Bug fixed in OpenMX3.1, No.2 T.Ozaki 0 1570 2006/11/17 00:44 by T.Ozaki Initial spin charges question? Dung Tien 2 2027 2006/11/15 22:38 by Dung Tien Bug fixed in OpenMX3.1, No.1 T.Ozaki 0 1584 2006/11/13 15:45 by T.Ozaki install problem for 3.1 verson Liger Chen 1 1526 2006/11/10 18:26 by Liger Chen Does B-Bop do DOS? Vasilii Artyukhov 2 1455 2006/11/09 22:04 by Vasilii Artyukhov the molecular orbital Xinyuan Zhang 1 1967 2006/11/09 11:15 by T.Ozaki DOS of hcp Gd metal Dr. Xubo Liu 0 2253 2006/11/06 03:34 by Dr. Xubo Liu Magnetic moment in cubic SrRuO3 JessK 3 4144 2006/11/05 00:05 by T.Ozaki Memory Usage Kevin 2 1854 2006/11/04 06:41 by JessK non convergence calculation problem! sabri 1 2196 2006/11/04 02:12 by T.Ozaki OpenMX Ver.3.1 available T.Ozaki 0 1414 2006/11/04 01:48 by T.Ozaki Velocities in MD Pavel 1 1387 2006/11/04 01:28 by T.Ozaki DosMain question. Liger Chen 1 1640 2006/11/04 01:26 by T.Ozaki error while testing Methane.dat Kevin 2 1828 2006/11/03 20:40 by Kevin Polarization in BaTiO3 jessK 1 2984 2006/11/01 10:15 by T.Ozaki LDA+U energy jessK 2 1934 2006/10/18 23:06 by jessK runtest problem in opteron h. Jeong 1 1588 2006/10/12 23:56 by T.Ozaki is it possible for plus diffuse orbital ? Liger Chen 1 1735 2006/10/12 23:01 by T.Ozaki Binding energy calculation K. Bart 1 2502 2006/10/12 22:52 by T.Ozaki error message ...p4_error: interrupt SIGSEGV: 11.. Liger Chen 1 7597 2006/10/12 22:36 by T.Ozaki Transition state search on OpenMX Dung Tien 2 1871 2006/10/04 11:10 by Dung Tien STM image Pavel 1 1535 2006/10/03 23:23 by T.Ozaki Segmentation Fault for openMX MPI version 3.0 KC 4 2426 2006/09/29 14:31 by T.Ozaki Dr. Hyuk Soon Choi 2 1883 2006/09/29 09:31 by Hyuk Soon Choi scf converge problem Liger Chen 2 2191 2006/09/26 16:01 by Liger Chen Hard to converge for geometric optimizer. Xinyuan Zhang 7 1324 2006/09/21 16:56 by Xinyuan what is the meaning of the error warning ? Liger Cheb 3 3865 2006/09/20 14:56 by Liger Chen Calculation of Work Function with Yukihiro Okuno 1 2550 2006/09/19 10:53 by T.Ozaki B-BOP Xinyuan Zhang 1 1782 2006/09/19 10:41 by T.Ozaki Help with NVT Si Bulk Simulation Ravi M 2 1956 2006/08/25 12:51 by Ravi M Miss christine 1 1494 2006/08/18 12:58 by T.Ozaki

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