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List of Threads Topics Author Replies Views Last Modified scf converge problem Liger Chen 2 2022 2006/09/26 16:01 by Liger Chen Hard to converge for geometric optimizer. Xinyuan Zhang 7 959 2006/09/21 16:56 by Xinyuan what is the meaning of the error warning ? Liger Cheb 3 3694 2006/09/20 14:56 by Liger Chen Calculation of Work Function with Yukihiro Okuno 1 2422 2006/09/19 10:53 by T.Ozaki B-BOP Xinyuan Zhang 1 1682 2006/09/19 10:41 by T.Ozaki Help with NVT Si Bulk Simulation Ravi M 2 1831 2006/08/25 12:51 by Ravi M Miss christine 1 1398 2006/08/18 12:58 by T.Ozaki memory issues jessK 1 1486 2006/08/11 09:10 by T.Ozaki A unknown problem Xinyuan Zhang 1 1493 2006/08/11 09:02 by T.Ozaki Tetrahedron method applicability Vasilii Artyukhov 1 1763 2006/08/11 09:00 by T.Ozaki A question about basis set Peter Winey 2 2046 2006/07/10 23:49 by Peter Winey Forces and symmetry Peter Winey 2 1926 2006/07/10 23:28 by Peter Winey Database (2006) of PAO and VPS available T.Ozaki 2 1758 2006/06/30 23:54 by Peter Winey Installation - undefined reference Jan 1 2069 2006/06/27 23:11 by Jan How to fix the fault of running large-scale system Gn. Plott 1 1554 2006/06/16 11:32 by T.Ozaki magnetic moment jessK 3 1742 2006/06/14 11:30 by T.Ozaki adpack1.8: first deriv. discont. of excited states M. Gusso 1 1646 2006/06/13 22:10 by T.Ozaki adpack1.8: high grid.xmax parameter M. Gusso 1 1680 2006/06/13 22:02 by T.Ozaki Band, Cluster, and DC ? F Li 1 1581 2006/06/13 21:50 by T.Ozaki LBFGS optimizer jessK 1 1574 2006/06/06 20:34 by T.Ozaki K-point grid jessK 1 1834 2006/06/06 10:46 by T.Ozaki OpenMX in surface? JinLong 1 1465 2006/05/31 18:29 by T.Ozaki Running jobs in a directory other than "work" Peter Winey 3 2378 2006/05/24 11:15 by T.Ozaki Exception error with big system John Tse 1 1594 2006/05/19 11:52 by T.Ozaki parallel questions Jeason 1 2091 2006/05/12 10:44 by T.Ozaki Prof. John Tse 1 1554 2006/05/11 20:52 by T.Ozaki Bad installation Pavel B Sorokin 6 2806 2006/05/11 18:27 by Pavel B Sorokin Big carbon nanotube structure Vasilii Artyukhov 1 1769 2006/04/29 01:58 by T.Ozaki BBOP and OXON Hai-Ping Lan 1 1628 2006/04/24 18:50 by T.Ozaki Pseudo for N Veronika Listyani 1 1373 2006/04/21 21:51 by T.Ozaki Compilation error Jeason 3 2809 2006/04/21 21:49 by T.Ozaki Nonorthogonality Alexander Fedorov 1 1450 2006/04/21 21:46 by T.Ozaki How to extract data such as workfunction? Hai-Ping Lan 1 1498 2006/04/06 19:32 by T.Ozaki LAM/MPI compilation error Jeason 1 2252 2006/04/06 11:47 by T.Ozaki undefined reference to fftw... Veronika Listyani 1 3035 2006/04/06 11:42 by T.Ozaki traditional diagonalization veronika listyani 2 1566 2006/04/05 12:26 by Veronika Listyani illegal value for mathfunction Hai-Ping Lan 1 3808 2006/03/27 09:29 by T.Ozaki Runing Error of parallel version! Hai-Ping Lan 1 1741 2006/03/27 00:47 by T.Ozaki Compiling failure when linking mathlib Hai-Ping Lan 2 1691 2006/03/24 23:49 by Hai-Ping Lan Problems about CLAPACK Hai-Ping Lan 2 3365 2006/03/24 14:39 by Hai-Ping Lan Bugs in MD_pac.c of OpenMX Ver. 3.0 T.Ozaki 0 1504 2006/03/24 00:54 by T.Ozaki OpenMX Ver 3.0 release T.Ozaki 0 1276 2006/03/21 02:59 by T.Ozaki Problem with fftw-3.1 Jeong 0 1260 2006/03/15 05:49 by Jeong Could you generate the GGA pseudopotential opendx 0 1372 2006/03/04 23:26 by opendx big forces of cubic SrTiO3 Sergey 1 1977 2006/02/25 00:01 by Fumiyuki Ishii PAO file of charged atom T.Ozaki 0 1470 2006/02/05 05:36 by T.Ozaki Installation problem on Itanium ARIJIT 0 1805 2005/12/17 01:33 by ARIJIT Variable-cell optimization Pavel B Sorokin 1 1567 2005/12/10 08:09 by Sergey open shell systems peter 7 3553 2005/12/08 20:01 by T.Ozaki openmx runtime questions peter 2 4719 2005/12/08 19:54 by T.Ozaki

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