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List of Threads Topics Author Replies Views Last Modified geometry relaxation JessK 3 2677 2007/07/06 06:10 by Vasilii Artyukhov patch #3 and #4 of OpenMX Ver. 3.2 T.Ozaki 0 2308 2007/06/28 20:33 by T.Ozaki What is the meaning of the angles of the sipn orientation in non-conllinear DFT Yun Li 1 3355 2007/06/28 20:22 by T.Ozaki completness of basis set JessK 1 2160 2007/06/28 20:03 by T.Ozaki errors in the inputfile z.w. Zhu 1 2448 2007/06/27 15:38 by Vasilii Artyukhov carbono 13 Alejandro 0 1683 2007/06/23 11:15 by Alejandro equilibrium lattice constant JessK 0 2781 2007/06/16 10:40 by JessK No rule to make target Serdar 0 2621 2007/06/12 18:44 by Serdar linkling problem __pgi_trace and __pgi_tracee Serdar 0 2052 2007/06/12 18:21 by Serdar Compilation error pgi Serdar 0 1703 2007/06/12 17:10 by Serdar Why not a mailing list ? Hai-Ping Lan 4 3371 2007/06/09 18:36 by Ondrej Certik I can not get the equlibrium lattice constants using openmx3.2 hugh 5 4909 2007/06/08 09:03 by T.Ozaki different energy using different initio spin Zhu Xi 2 2024 2007/05/30 17:11 by Yun Li makefile: clean tag bug Rob 1 2019 2007/05/28 17:34 by T.Ozaki Re: A patch of OpenMX Ver. 3.2 Rob 1 2216 2007/05/28 17:29 by T.Ozaki efficient parallelization JessK 1 2128 2007/05/25 09:52 by T.Ozaki BAnd Dispersion of (3,0) carbon nanotube Jooya 1 2335 2007/05/25 09:46 by T.Ozaki k-point mesh Peter 3 4268 2007/05/18 00:25 by Vasilii Artyukhov problems with MD in OpenMX3.2 Denis Music 6 2717 2007/05/14 18:49 by Denis Music Installation error Kyung Ah Park 2 3827 2007/05/10 16:16 by Yun Li scf.restart option Peter 4 2231 2007/04/23 15:11 by T.Ozaki a problem with CO.dat test JessK 1 647 2007/04/22 17:45 by T.Ozaki A tip for geometry optimization T.Ozaki 0 2363 2007/04/13 11:33 by T.Ozaki A patch of OpenMX Ver. 3.2 T.Ozaki 0 1520 2007/04/13 11:16 by T.Ozaki LDA+U method Allessandro Pennotti 1 2639 2007/04/05 09:01 by T.Ozaki how to choose optimal basis set Peter 2 2337 2007/04/04 10:03 by Peter Release of OpenMX3.2 and ADPACK2.0 T.Ozaki 0 1673 2007/04/02 06:49 by T.Ozaki OpenMX 3.1 on IBM P595 Jyh-Shyong Ho 14 3656 2007/03/26 23:04 by Jyh-Shyong Ho More OpenMX on IBM: FFTW3 Vasilii Artyukhov 0 1877 2007/03/23 18:20 by Vasilii Artyukhov Research Scientist Jyh-Shyong Ho 0 1716 2007/03/15 13:50 by Jyh-Shyong Ho BaTiO3 optical conductivity tigercuong 0 2205 2007/03/12 20:14 by tigercuong Could you show me how to use DFTcalculation for QD Mr.CuongNT 1 2019 2007/02/21 14:04 by Xinyuan Zhang Selenium basis set shyam 1 2350 2007/02/20 19:48 by Vasilii.Artyukhov undefined "Valence_Electrons" Huiqun Zhou 0 1936 2007/02/11 13:49 by Huiqun Zhou Problem about compilation error jacket Su 2 2467 2007/02/08 02:10 by jacket Su tips for PP generation Denis Music 3 2283 2007/02/08 00:20 by Denis Music I couldn't have installed OpenMX3.1!!! Help me Congkhtn 0 1631 2007/02/05 14:14 by Congkhtn B-BOP again Vasilii Artyukhov 0 2110 2007/01/31 00:53 by Vasilii Artyukhov Runtest problem Zsolt 2 3773 2007/01/22 18:22 by Zsolt adapack1.8 - Generate_VNL.c routine Michele Gusso 0 1780 2007/01/17 19:19 by Michele Gusso Adpack and partial core correction Guillaume Lucas 1 1571 2007/01/16 00:02 by Guillaume Lucas large systems JessK 3 1937 2007/01/13 01:27 by jessK Happy New Year to All OpenMX Users! Dung Tien 0 1987 2006/12/31 12:15 by Dung Tien Dimer binding energy Alexandre Tkatchenko 8 4459 2006/12/28 00:22 by T.Ozaki small suggestion hungdt 1 1558 2006/12/18 19:32 by T.Ozaki Ceperly Alder Exchange-Correlation Michele Gusso 1 1942 2006/12/07 11:51 by T.Ozaki coud you show me how to setup OnpenMX in Win Oper? Mr.Cong 7 2020 2006/12/06 05:15 by alex Publications Vasilii Artyukhov 3 1684 2006/12/05 23:56 by Vasilii Artyukhov How to construct peudopotential of fictitious atom Xinyuan Zhang 3 1734 2006/12/01 23:49 by Vasilii Artyukhov opteron compilation error Aloysius 1 2048 2006/12/01 18:23 by T.Ozaki

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