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List of Threads Topics Author Replies Views Last Modified calculation Stopping at MD step=1 asaaravind 1 1864 2007/11/09 13:54 by h. jeong Electric transport with version 3.3 Xiaobing Feng 0 2004 2007/11/02 17:52 by Xiaobing Feng Periodic boundary conditions Florian Rovere 1 2870 2007/10/31 02:20 by Florian Rovere the SCF steps is so much on each EF step.... Liger Chen 2 2378 2007/10/22 21:14 by asaaravind One more question about the "Note on Recursion Methods" Yang Xu 1 1846 2007/10/20 23:19 by T.Ozaki Linking error with gcc on OSX David Benoit 2 3609 2007/10/09 00:03 by David Benoit Some questions about the "Note on Recursion Methods" Yang Xu 2 2736 2007/10/07 15:42 by Yang Xu OpenMX with icc10 / gcc4+gfortran4 / sunstudio12 Pawel Lesniak 0 2870 2007/10/03 07:18 by Pawel Lesniak database, equilibrium constant and binding energy H. Kino 0 2223 2007/09/26 16:00 by H. Kino queation about DIIS ,H matrix. Liger Chen 1 2485 2007/09/25 17:03 by T.Ozaki Segmentation fault with scf.ProExpn.VNA=off Michele Gusso 1 2219 2007/09/25 16:16 by T.Ozaki How to re-start MD? Zhu Xi 1 2358 2007/09/21 20:04 by Liger Chen Problems about basis function MMQS 1 412 2007/09/01 18:41 by T.Ozaki references Alejandro León 1 2046 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 2249 2007/08/28 21:51 by jeong hogyun I can't understand Primitive basis function HansVanderVatt 1 2661 2007/08/28 17:17 by T.Ozaki Memory problem Sei Ou 0 1943 2007/08/22 17:10 by Sei Ou Release of Technical Notes on OpenMX and ADPACK T.Ozaki 0 1991 2007/08/20 19:36 by T.Ozaki Release of OpenMX3.3 T.Ozaki 4 343 2007/08/15 11:00 by STONE Problems with polB code in OpenMX3.2 version Guang-Yu Guo 1 2804 2007/07/30 23:39 by T.Ozaki patch 3.2.4 has version tag "3.2.3" Rob 3 2776 2007/07/27 18:14 by Vasilii Artyukhov Effect of "Temp. Setting." on DOS Jooya 1 2875 2007/07/26 00:36 by Vasilii Artyukhov Library error for install openmx .. Liger Chen 5 8556 2007/07/12 05:26 by Jonathan geometry relaxation JessK 3 2956 2007/07/06 06:10 by Vasilii Artyukhov patch #3 and #4 of OpenMX Ver. 3.2 T.Ozaki 0 2537 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 3642 2007/06/28 20:22 by T.Ozaki completness of basis set JessK 1 2391 2007/06/28 20:03 by T.Ozaki errors in the inputfile z.w. Zhu 1 2780 2007/06/27 15:38 by Vasilii Artyukhov carbono 13 Alejandro 0 1921 2007/06/23 11:15 by Alejandro equilibrium lattice constant JessK 0 3030 2007/06/16 10:40 by JessK No rule to make target Serdar 0 2846 2007/06/12 18:44 by Serdar linkling problem __pgi_trace and __pgi_tracee Serdar 0 2299 2007/06/12 18:21 by Serdar Compilation error pgi Serdar 0 1956 2007/06/12 17:10 by Serdar Why not a mailing list ? Hai-Ping Lan 4 3618 2007/06/09 18:36 by Ondrej Certik I can not get the equlibrium lattice constants using openmx3.2 hugh 5 5208 2007/06/08 09:03 by T.Ozaki different energy using different initio spin Zhu Xi 2 2228 2007/05/30 17:11 by Yun Li makefile: clean tag bug Rob 1 2244 2007/05/28 17:34 by T.Ozaki Re: A patch of OpenMX Ver. 3.2 Rob 1 2422 2007/05/28 17:29 by T.Ozaki efficient parallelization JessK 1 2337 2007/05/25 09:52 by T.Ozaki BAnd Dispersion of (3,0) carbon nanotube Jooya 1 2562 2007/05/25 09:46 by T.Ozaki k-point mesh Peter 3 4780 2007/05/18 00:25 by Vasilii Artyukhov problems with MD in OpenMX3.2 Denis Music 6 2976 2007/05/14 18:49 by Denis Music Installation error Kyung Ah Park 2 4051 2007/05/10 16:16 by Yun Li scf.restart option Peter 4 2581 2007/04/23 15:11 by T.Ozaki a problem with CO.dat test JessK 1 927 2007/04/22 17:45 by T.Ozaki A tip for geometry optimization T.Ozaki 0 2579 2007/04/13 11:33 by T.Ozaki A patch of OpenMX Ver. 3.2 T.Ozaki 0 1706 2007/04/13 11:16 by T.Ozaki LDA+U method Allessandro Pennotti 1 2917 2007/04/05 09:01 by T.Ozaki how to choose optimal basis set Peter 2 2570 2007/04/04 10:03 by Peter Release of OpenMX3.2 and ADPACK2.0 T.Ozaki 0 1873 2007/04/02 06:49 by T.Ozaki

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