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List of Threads Topics Author Replies Views Last Modified problem with installation Esthela Contreras 0 1547 2008/12/03 05:19 by Esthela Contreras To calculate dielectric constant Gunn Kim 0 2190 2008/11/27 14:44 by Gunn Kim Problem with openmp/mpi Kevin 1 1833 2008/11/09 01:46 by Kevin Be careful for U values JH Parq 0 2480 2008/11/08 10:17 by JH Parq geometry optimization problem Yuzheng Guo 0 1167 2008/11/04 00:02 by Yuzheng Guo Segmentation fault in executing openmx? xue_bin wu 0 203 2008/11/02 04:03 by xue_bin wu Errors when compiling DosMain V3.4 Yonghong Zhao 7 429 2008/10/25 01:25 by Kyriakos Kachrimanis Bug report : Empty atom failure on OpenMX 3.4 H. Jeong 0 2230 2008/10/22 10:23 by H. Jeong appropriate Band.KPath.UnitCell and Band.Nkpath settings Kyriakos Kachrimanis 0 1744 2008/10/07 02:46 by Kyriakos Kachrimanis Relaxation of large system with defect, using new Eigenvalue-Following(EF) method Heungsik Kim 1 2569 2008/10/01 16:02 by Heungsik Kim Openmx linking problem Mauro Sgroi 1 2591 2008/10/01 01:13 by Mauro Sgroi comile error in openmx3.4 Jaber Jahanbin 3 3186 2008/09/24 14:25 by Heungsik Kim Complex band structure R K Pandey 0 2423 2008/09/11 10:37 by R K Pandey give a help about installation: parallel compilation Nauy Nux 0 2595 2008/08/19 01:01 by Nauy Nux how to switch off symmetry Zhu Xi 0 1557 2008/08/04 16:55 by Zhu Xi parallel compilation problem Xun Yuan 1 3163 2008/07/29 10:53 by Duong Dinh Loc weird and unreasonable total energies in Si-bulk geometry relaxation Mauro 0 2614 2008/07/26 05:11 by Mauro Problem When test openmx with Alpha E45 machine Duong Dinh Loc 0 2260 2008/07/24 00:18 by Duong Dinh Loc a problem in installation of openMX3.4 Xun Yuan 1 1962 2008/07/15 22:56 by Mauro I have problemes in openmx installation on fedora 8 Jaber Jahanbin Sardr 3 2634 2008/07/15 05:55 by Jaber Jahanbin Sardr Question about Poles and residues in the ...code Liger Chen 0 1725 2008/07/03 20:16 by Liger Chen ADPACK Ver. 2.1 and OpenMX Ver. 3.4 were released T.Ozaki 1 392 2008/07/01 10:09 by pem orbital optimization problem:scaling factor diverging Mauro 1 2557 2008/06/27 18:08 by Mauro OpenMx installation on Asus G2P laptop Naoto 3 4042 2008/06/27 18:06 by Naoto Reg Au_PBE.vps Deepak 1 2735 2008/06/27 11:52 by Yonghong Zhao A question about DOSs of Si & Al Yonghong Zhao 2 2661 2008/06/12 22:52 by Yonghong Zhao Too violet variation of "Uele" value under Electric field calculation ? Fuh Huei-Ru 2 2036 2008/06/12 20:20 by Huei-Ru Fuh Can I increase the number of point when calculating DOS? Yonghong Zhao 2 1688 2008/06/12 10:28 by Yonghong Zhao bccFe, the Fermi level is error? Yonghong Zhao 2 2265 2008/06/12 09:47 by Yonghong Zhao The discontinue output data of "filename.tden.cube"? Fuh Huei-Ru 1 2591 2008/06/11 11:38 by T.Ozaki Problem about 'case.vden' file Yonghong Zhao 1 1621 2008/05/31 13:04 by Yonghong Zhao ghost states for Pb A. Lusakowski 2 3480 2008/05/20 22:40 by A. Lusakowski electric transport archy 1 1947 2008/05/16 18:24 by T.Ozaki Problem Openmx3.3 Alejandro 1 1945 2008/05/16 18:19 by T.Ozaki Not enough data for PAO Mauro 1 2075 2008/04/25 21:10 by Mauro Exchange coupling parameter T. R. Chang 1 1922 2008/04/03 23:51 by Ali Sebetci surface bombardment Denis Music 2 1945 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 3349 2008/02/06 10:29 by T.Ozaki MPI version: unequal load balance over multiple CPUs.... Rob 4 9293 2008/01/19 18:52 by sutapa About the calculation of magnetization Gunn Kim 3 2689 2008/01/15 10:03 by T.Ozaki Compiling MPI version of OpenMX with Intel compiler and MKL Heungsik Kim 4 5299 2008/01/14 11:40 by Heungsik Kim Geometry optimization asaaravind 1 2168 2007/12/24 21:54 by JH Parq complex number in OpenMX code H. Jeong 2 2052 2007/12/24 02:14 by Vasilii Artyukhov Orbital Polarization Correction A.Sebetci 1 2057 2007/12/19 04:57 by T.Ozaki Fermi Energy Sumit Saxena 1 1743 2007/12/18 20:36 by h. jeong Atomic species definition Sumit Saxena 2 7501 2007/12/18 20:25 by h. jeong running openmx in background Sumit Saxena 4 2127 2007/12/12 12:58 by Sumit Saxena plotting band strucutre of cdte asaaravind 0 1866 2007/12/06 18:38 by asaaravind installation problem openmx Sumit Saxena 2 3757 2007/11/28 03:32 by Sumit Saxena compile problem in IBM-merlin AIX5.2 Zhu Xi 1 2504 2007/11/22 17:08 by xiaohui qu

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