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List of Threads Topics Author Replies Views Last Modified Problem Openmx3.3 Alejandro 1 2071 2008/05/16 18:19 by T.Ozaki Not enough data for PAO Mauro 1 2223 2008/04/25 21:10 by Mauro Exchange coupling parameter T. R. Chang 1 2115 2008/04/03 23:51 by Ali Sebetci surface bombardment Denis Music 2 2078 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 3662 2008/02/06 10:29 by T.Ozaki MPI version: unequal load balance over multiple CPUs.... Rob 4 9675 2008/01/19 18:52 by sutapa About the calculation of magnetization Gunn Kim 3 2824 2008/01/15 10:03 by T.Ozaki Compiling MPI version of OpenMX with Intel compiler and MKL Heungsik Kim 4 5592 2008/01/14 11:40 by Heungsik Kim Geometry optimization asaaravind 1 2336 2007/12/24 21:54 by JH Parq complex number in OpenMX code H. Jeong 2 2192 2007/12/24 02:14 by Vasilii Artyukhov Orbital Polarization Correction A.Sebetci 1 2225 2007/12/19 04:57 by T.Ozaki Fermi Energy Sumit Saxena 1 1882 2007/12/18 20:36 by h. jeong Atomic species definition Sumit Saxena 2 8149 2007/12/18 20:25 by h. jeong running openmx in background Sumit Saxena 4 2322 2007/12/12 12:58 by Sumit Saxena plotting band strucutre of cdte asaaravind 0 1999 2007/12/06 18:38 by asaaravind installation problem openmx Sumit Saxena 2 3970 2007/11/28 03:32 by Sumit Saxena compile problem in IBM-merlin AIX5.2 Zhu Xi 1 2645 2007/11/22 17:08 by xiaohui qu calculation Stopping at MD step=1 asaaravind 1 2006 2007/11/09 13:54 by h. jeong Electric transport with version 3.3 Xiaobing Feng 0 2127 2007/11/02 17:52 by Xiaobing Feng Periodic boundary conditions Florian Rovere 1 3007 2007/10/31 02:20 by Florian Rovere the SCF steps is so much on each EF step.... Liger Chen 2 2540 2007/10/22 21:14 by asaaravind One more question about the "Note on Recursion Methods" Yang Xu 1 1977 2007/10/20 23:19 by T.Ozaki Linking error with gcc on OSX David Benoit 2 3779 2007/10/09 00:03 by David Benoit Some questions about the "Note on Recursion Methods" Yang Xu 2 2886 2007/10/07 15:42 by Yang Xu OpenMX with icc10 / gcc4+gfortran4 / sunstudio12 Pawel Lesniak 0 3043 2007/10/03 07:18 by Pawel Lesniak database, equilibrium constant and binding energy H. Kino 0 2354 2007/09/26 16:00 by H. Kino queation about DIIS ,H matrix. Liger Chen 1 2631 2007/09/25 17:03 by T.Ozaki Segmentation fault with scf.ProExpn.VNA=off Michele Gusso 1 2374 2007/09/25 16:16 by T.Ozaki How to re-start MD? Zhu Xi 1 2481 2007/09/21 20:04 by Liger Chen Problems about basis function MMQS 1 549 2007/09/01 18:41 by T.Ozaki references Alejandro León 1 2185 2007/09/01 18:37 by T.Ozaki A problem with message ** On entry to DSTEVX parameter number 14 had an illegal value Ming-qiu Tan 1 2401 2007/08/28 21:51 by jeong hogyun I can't understand Primitive basis function HansVanderVatt 1 2807 2007/08/28 17:17 by T.Ozaki Memory problem Sei Ou 0 2107 2007/08/22 17:10 by Sei Ou Release of Technical Notes on OpenMX and ADPACK T.Ozaki 0 2118 2007/08/20 19:36 by T.Ozaki Release of OpenMX3.3 T.Ozaki 4 481 2007/08/15 11:00 by STONE Problems with polB code in OpenMX3.2 version Guang-Yu Guo 1 2957 2007/07/30 23:39 by T.Ozaki patch 3.2.4 has version tag "3.2.3" Rob 3 2935 2007/07/27 18:14 by Vasilii Artyukhov Effect of "Temp. Setting." on DOS Jooya 1 3044 2007/07/26 00:36 by Vasilii Artyukhov Library error for install openmx .. Liger Chen 5 8761 2007/07/12 05:26 by Jonathan geometry relaxation JessK 3 3110 2007/07/06 06:10 by Vasilii Artyukhov patch #3 and #4 of OpenMX Ver. 3.2 T.Ozaki 0 2681 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 3797 2007/06/28 20:22 by T.Ozaki completness of basis set JessK 1 2547 2007/06/28 20:03 by T.Ozaki errors in the inputfile z.w. Zhu 1 2970 2007/06/27 15:38 by Vasilii Artyukhov carbono 13 Alejandro 0 2065 2007/06/23 11:15 by Alejandro equilibrium lattice constant JessK 0 3190 2007/06/16 10:40 by JessK No rule to make target Serdar 0 2978 2007/06/12 18:44 by Serdar linkling problem __pgi_trace and __pgi_tracee Serdar 0 2476 2007/06/12 18:21 by Serdar Compilation error pgi Serdar 0 2092 2007/06/12 17:10 by Serdar

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