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List of Threads Topics Author Replies Views Last Modified the SCF steps is so much on each EF step.... Liger Chen 2 2509 2007/10/22 21:14 by asaaravind One more question about the "Note on Recursion Methods" Yang Xu 1 1946 2007/10/20 23:19 by T.Ozaki Linking error with gcc on OSX David Benoit 2 3742 2007/10/09 00:03 by David Benoit Some questions about the "Note on Recursion Methods" Yang Xu 2 2850 2007/10/07 15:42 by Yang Xu OpenMX with icc10 / gcc4+gfortran4 / sunstudio12 Pawel Lesniak 0 3009 2007/10/03 07:18 by Pawel Lesniak database, equilibrium constant and binding energy H. Kino 0 2323 2007/09/26 16:00 by H. Kino queation about DIIS ,H matrix. Liger Chen 1 2596 2007/09/25 17:03 by T.Ozaki Segmentation fault with scf.ProExpn.VNA=off Michele Gusso 1 2342 2007/09/25 16:16 by T.Ozaki How to re-start MD? Zhu Xi 1 2453 2007/09/21 20:04 by Liger Chen Problems about basis function MMQS 1 512 2007/09/01 18:41 by T.Ozaki references Alejandro León 1 2153 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 2370 2007/08/28 21:51 by jeong hogyun I can't understand Primitive basis function HansVanderVatt 1 2772 2007/08/28 17:17 by T.Ozaki Memory problem Sei Ou 0 2069 2007/08/22 17:10 by Sei Ou Release of Technical Notes on OpenMX and ADPACK T.Ozaki 0 2088 2007/08/20 19:36 by T.Ozaki Release of OpenMX3.3 T.Ozaki 4 447 2007/08/15 11:00 by STONE Problems with polB code in OpenMX3.2 version Guang-Yu Guo 1 2920 2007/07/30 23:39 by T.Ozaki patch 3.2.4 has version tag "3.2.3" Rob 3 2898 2007/07/27 18:14 by Vasilii Artyukhov Effect of "Temp. Setting." on DOS Jooya 1 3010 2007/07/26 00:36 by Vasilii Artyukhov Library error for install openmx .. Liger Chen 5 8723 2007/07/12 05:26 by Jonathan geometry relaxation JessK 3 3078 2007/07/06 06:10 by Vasilii Artyukhov patch #3 and #4 of OpenMX Ver. 3.2 T.Ozaki 0 2642 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 3764 2007/06/28 20:22 by T.Ozaki completness of basis set JessK 1 2516 2007/06/28 20:03 by T.Ozaki errors in the inputfile z.w. Zhu 1 2932 2007/06/27 15:38 by Vasilii Artyukhov carbono 13 Alejandro 0 2030 2007/06/23 11:15 by Alejandro equilibrium lattice constant JessK 0 3163 2007/06/16 10:40 by JessK No rule to make target Serdar 0 2950 2007/06/12 18:44 by Serdar linkling problem __pgi_trace and __pgi_tracee Serdar 0 2431 2007/06/12 18:21 by Serdar Compilation error pgi Serdar 0 2062 2007/06/12 17:10 by Serdar Why not a mailing list ? Hai-Ping Lan 4 3748 2007/06/09 18:36 by Ondrej Certik I can not get the equlibrium lattice constants using openmx3.2 hugh 5 5343 2007/06/08 09:03 by T.Ozaki different energy using different initio spin Zhu Xi 2 2339 2007/05/30 17:11 by Yun Li makefile: clean tag bug Rob 1 2352 2007/05/28 17:34 by T.Ozaki Re: A patch of OpenMX Ver. 3.2 Rob 1 2535 2007/05/28 17:29 by T.Ozaki efficient parallelization JessK 1 2443 2007/05/25 09:52 by T.Ozaki BAnd Dispersion of (3,0) carbon nanotube Jooya 1 2692 2007/05/25 09:46 by T.Ozaki k-point mesh Peter 3 5000 2007/05/18 00:25 by Vasilii Artyukhov problems with MD in OpenMX3.2 Denis Music 6 3081 2007/05/14 18:49 by Denis Music Installation error Kyung Ah Park 2 4159 2007/05/10 16:16 by Yun Li scf.restart option Peter 4 2736 2007/04/23 15:11 by T.Ozaki a problem with CO.dat test JessK 1 1031 2007/04/22 17:45 by T.Ozaki A tip for geometry optimization T.Ozaki 0 2699 2007/04/13 11:33 by T.Ozaki A patch of OpenMX Ver. 3.2 T.Ozaki 0 1800 2007/04/13 11:16 by T.Ozaki LDA+U method Allessandro Pennotti 1 3041 2007/04/05 09:01 by T.Ozaki how to choose optimal basis set Peter 2 2707 2007/04/04 10:03 by Peter Release of OpenMX3.2 and ADPACK2.0 T.Ozaki 0 1972 2007/04/02 06:49 by T.Ozaki OpenMX 3.1 on IBM P595 Jyh-Shyong Ho 14 4199 2007/03/26 23:04 by Jyh-Shyong Ho More OpenMX on IBM: FFTW3 Vasilii Artyukhov 0 2186 2007/03/23 18:20 by Vasilii Artyukhov Research Scientist Jyh-Shyong Ho 0 2070 2007/03/15 13:50 by Jyh-Shyong Ho

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