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List of Threads Topics Author Replies Views Last Modified Complex band structure R K Pandey 0 2401 2008/09/11 10:37 by R K Pandey give a help about installation: parallel compilation Nauy Nux 0 2563 2008/08/19 01:01 by Nauy Nux how to switch off symmetry Zhu Xi 0 1536 2008/08/04 16:55 by Zhu Xi parallel compilation problem Xun Yuan 1 3141 2008/07/29 10:53 by Duong Dinh Loc weird and unreasonable total energies in Si-bulk geometry relaxation Mauro 0 2588 2008/07/26 05:11 by Mauro Problem When test openmx with Alpha E45 machine Duong Dinh Loc 0 2233 2008/07/24 00:18 by Duong Dinh Loc a problem in installation of openMX3.4 Xun Yuan 1 1939 2008/07/15 22:56 by Mauro I have problemes in openmx installation on fedora 8 Jaber Jahanbin Sardr 3 2605 2008/07/15 05:55 by Jaber Jahanbin Sardr Question about Poles and residues in the ...code Liger Chen 0 1703 2008/07/03 20:16 by Liger Chen ADPACK Ver. 2.1 and OpenMX Ver. 3.4 were released T.Ozaki 1 371 2008/07/01 10:09 by pem orbital optimization problem:scaling factor diverging Mauro 1 2524 2008/06/27 18:08 by Mauro OpenMx installation on Asus G2P laptop Naoto 3 4017 2008/06/27 18:06 by Naoto Reg Au_PBE.vps Deepak 1 2710 2008/06/27 11:52 by Yonghong Zhao A question about DOSs of Si & Al Yonghong Zhao 2 2640 2008/06/12 22:52 by Yonghong Zhao Too violet variation of "Uele" value under Electric field calculation ? Fuh Huei-Ru 2 2011 2008/06/12 20:20 by Huei-Ru Fuh Can I increase the number of point when calculating DOS? Yonghong Zhao 2 1666 2008/06/12 10:28 by Yonghong Zhao bccFe, the Fermi level is error? Yonghong Zhao 2 2237 2008/06/12 09:47 by Yonghong Zhao The discontinue output data of "filename.tden.cube"? Fuh Huei-Ru 1 2564 2008/06/11 11:38 by T.Ozaki Problem about 'case.vden' file Yonghong Zhao 1 1600 2008/05/31 13:04 by Yonghong Zhao ghost states for Pb A. Lusakowski 2 3446 2008/05/20 22:40 by A. Lusakowski electric transport archy 1 1924 2008/05/16 18:24 by T.Ozaki Problem Openmx3.3 Alejandro 1 1922 2008/05/16 18:19 by T.Ozaki Not enough data for PAO Mauro 1 2046 2008/04/25 21:10 by Mauro Exchange coupling parameter T. R. Chang 1 1880 2008/04/03 23:51 by Ali Sebetci surface bombardment Denis Music 2 1926 2008/03/13 15:42 by Denis Music How to distinguish different spins in band structure by non-collinear DFT with spin-orbit coupling Yun Li 1 3307 2008/02/06 10:29 by T.Ozaki MPI version: unequal load balance over multiple CPUs.... Rob 4 9242 2008/01/19 18:52 by sutapa About the calculation of magnetization Gunn Kim 3 2663 2008/01/15 10:03 by T.Ozaki Compiling MPI version of OpenMX with Intel compiler and MKL Heungsik Kim 4 5259 2008/01/14 11:40 by Heungsik Kim Geometry optimization asaaravind 1 2143 2007/12/24 21:54 by JH Parq complex number in OpenMX code H. Jeong 2 2032 2007/12/24 02:14 by Vasilii Artyukhov Orbital Polarization Correction A.Sebetci 1 2030 2007/12/19 04:57 by T.Ozaki Fermi Energy Sumit Saxena 1 1719 2007/12/18 20:36 by h. jeong Atomic species definition Sumit Saxena 2 7355 2007/12/18 20:25 by h. jeong running openmx in background Sumit Saxena 4 2096 2007/12/12 12:58 by Sumit Saxena plotting band strucutre of cdte asaaravind 0 1843 2007/12/06 18:38 by asaaravind installation problem openmx Sumit Saxena 2 3722 2007/11/28 03:32 by Sumit Saxena compile problem in IBM-merlin AIX5.2 Zhu Xi 1 2482 2007/11/22 17:08 by xiaohui qu calculation Stopping at MD step=1 asaaravind 1 1842 2007/11/09 13:54 by h. jeong Electric transport with version 3.3 Xiaobing Feng 0 1983 2007/11/02 17:52 by Xiaobing Feng Periodic boundary conditions Florian Rovere 1 2848 2007/10/31 02:20 by Florian Rovere the SCF steps is so much on each EF step.... Liger Chen 2 2346 2007/10/22 21:14 by asaaravind One more question about the "Note on Recursion Methods" Yang Xu 1 1823 2007/10/20 23:19 by T.Ozaki Linking error with gcc on OSX David Benoit 2 3587 2007/10/09 00:03 by David Benoit Some questions about the "Note on Recursion Methods" Yang Xu 2 2716 2007/10/07 15:42 by Yang Xu OpenMX with icc10 / gcc4+gfortran4 / sunstudio12 Pawel Lesniak 0 2847 2007/10/03 07:18 by Pawel Lesniak database, equilibrium constant and binding energy H. Kino 0 2203 2007/09/26 16:00 by H. Kino queation about DIIS ,H matrix. Liger Chen 1 2463 2007/09/25 17:03 by T.Ozaki Segmentation fault with scf.ProExpn.VNA=off Michele Gusso 1 2196 2007/09/25 16:16 by T.Ozaki How to re-start MD? Zhu Xi 1 2338 2007/09/21 20:04 by Liger Chen

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