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List of Threads Topics Author Replies Views Last Modified Segmentation fault in executing openmx? xue_bin wu 0 64 2008/11/02 04:03 by xue_bin wu Errors when compiling DosMain V3.4 Yonghong Zhao 7 88 2008/10/25 01:25 by Kyriakos Kachrimanis Bug report : Empty atom failure on OpenMX 3.4 H. Jeong 0 2115 2008/10/22 10:23 by H. Jeong appropriate Band.KPath.UnitCell and Band.Nkpath settings Kyriakos Kachrimanis 0 1601 2008/10/07 02:46 by Kyriakos Kachrimanis Relaxation of large system with defect, using new Eigenvalue-Following(EF) method Heungsik Kim 1 2448 2008/10/01 16:02 by Heungsik Kim Openmx linking problem Mauro Sgroi 1 2434 2008/10/01 01:13 by Mauro Sgroi comile error in openmx3.4 Jaber Jahanbin 3 3034 2008/09/24 14:25 by Heungsik Kim Complex band structure R K Pandey 0 2292 2008/09/11 10:37 by R K Pandey give a help about installation: parallel compilation Nauy Nux 0 2445 2008/08/19 01:01 by Nauy Nux how to switch off symmetry Zhu Xi 0 1431 2008/08/04 16:55 by Zhu Xi parallel compilation problem Xun Yuan 1 3010 2008/07/29 10:53 by Duong Dinh Loc weird and unreasonable total energies in Si-bulk geometry relaxation Mauro 0 2484 2008/07/26 05:11 by Mauro Problem When test openmx with Alpha E45 machine Duong Dinh Loc 0 2123 2008/07/24 00:18 by Duong Dinh Loc a problem in installation of openMX3.4 Xun Yuan 1 1835 2008/07/15 22:56 by Mauro I have problemes in openmx installation on fedora 8 Jaber Jahanbin Sardr 3 2487 2008/07/15 05:55 by Jaber Jahanbin Sardr Question about Poles and residues in the ...code Liger Chen 0 1598 2008/07/03 20:16 by Liger Chen ADPACK Ver. 2.1 and OpenMX Ver. 3.4 were released T.Ozaki 1 261 2008/07/01 10:09 by pem orbital optimization problem:scaling factor diverging Mauro 1 2378 2008/06/27 18:08 by Mauro OpenMx installation on Asus G2P laptop Naoto 3 3814 2008/06/27 18:06 by Naoto Reg Au_PBE.vps Deepak 1 2562 2008/06/27 11:52 by Yonghong Zhao A question about DOSs of Si & Al Yonghong Zhao 2 2543 2008/06/12 22:52 by Yonghong Zhao Too violet variation of "Uele" value under Electric field calculation ? Fuh Huei-Ru 2 1893 2008/06/12 20:20 by Huei-Ru Fuh Can I increase the number of point when calculating DOS? Yonghong Zhao 2 1529 2008/06/12 10:28 by Yonghong Zhao bccFe, the Fermi level is error? Yonghong Zhao 2 2126 2008/06/12 09:47 by Yonghong Zhao The discontinue output data of "filename.tden.cube"? Fuh Huei-Ru 1 2417 2008/06/11 11:38 by T.Ozaki Problem about 'case.vden' file Yonghong Zhao 1 1500 2008/05/31 13:04 by Yonghong Zhao ghost states for Pb A. Lusakowski 2 3278 2008/05/20 22:40 by A. Lusakowski electric transport archy 1 1803 2008/05/16 18:24 by T.Ozaki Problem Openmx3.3 Alejandro 1 1830 2008/05/16 18:19 by T.Ozaki Not enough data for PAO Mauro 1 1936 2008/04/25 21:10 by Mauro Exchange coupling parameter T. R. Chang 1 1703 2008/04/03 23:51 by Ali Sebetci surface bombardment Denis Music 2 1833 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 3092 2008/02/06 10:29 by T.Ozaki MPI version: unequal load balance over multiple CPUs.... Rob 4 9015 2008/01/19 18:52 by sutapa About the calculation of magnetization Gunn Kim 3 2560 2008/01/15 10:03 by T.Ozaki Compiling MPI version of OpenMX with Intel compiler and MKL Heungsik Kim 4 5041 2008/01/14 11:40 by Heungsik Kim Geometry optimization asaaravind 1 2011 2007/12/24 21:54 by JH Parq complex number in OpenMX code H. Jeong 2 1944 2007/12/24 02:14 by Vasilii Artyukhov Orbital Polarization Correction A.Sebetci 1 1916 2007/12/19 04:57 by T.Ozaki Fermi Energy Sumit Saxena 1 1608 2007/12/18 20:36 by h. jeong Atomic species definition Sumit Saxena 2 6840 2007/12/18 20:25 by h. jeong running openmx in background Sumit Saxena 4 1971 2007/12/12 12:58 by Sumit Saxena plotting band strucutre of cdte asaaravind 0 1740 2007/12/06 18:38 by asaaravind installation problem openmx Sumit Saxena 2 3546 2007/11/28 03:32 by Sumit Saxena compile problem in IBM-merlin AIX5.2 Zhu Xi 1 2352 2007/11/22 17:08 by xiaohui qu calculation Stopping at MD step=1 asaaravind 1 1739 2007/11/09 13:54 by h. jeong Electric transport with version 3.3 Xiaobing Feng 0 1900 2007/11/02 17:52 by Xiaobing Feng Periodic boundary conditions Florian Rovere 1 2737 2007/10/31 02:20 by Florian Rovere the SCF steps is so much on each EF step.... Liger Chen 2 2240 2007/10/22 21:14 by asaaravind One more question about the "Note on Recursion Methods" Yang Xu 1 1692 2007/10/20 23:19 by T.Ozaki

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