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List of Threads Topics Author Replies Views Last Modified Running openMX on Cray XC30 Yu Xie 2 1769 2014/02/07 04:43 by Yu Xie unit of cube file J 3 3313 2014/01/31 23:32 by J Patch 3.7.7 to OpenMX Ver. 3.7 T. Ozaki 0 4980 2014/01/31 17:40 by T. Ozaki Kohn Sham energy levels and Hartree potential Le The Anh 9 4346 2014/01/29 18:34 by Le The Anh Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira 1 5666 2014/01/28 09:47 by T. Ozaki pseudopotential for positive charged atoms JT 1 1751 2014/01/28 09:44 by T. Ozaki Mr. Yu Xie 1 6793 2014/01/24 02:25 by Yu Xie My first post Imeldran 0 1279 2013/12/27 02:21 by Imeldran charge density in a given energy range J 2 1748 2013/12/25 12:56 by J light speed in the code WenLiang_liu 1 2144 2013/12/25 04:21 by T. Ozaki <RF> ERROR, aborting yugd 1 1502 2013/12/25 04:16 by T. Ozaki Atom projected band structure Eike Schwier 1 1664 2013/12/25 04:13 by T. Ozaki Stress calculation Somesh Bhattacharya 1 1510 2013/12/25 04:11 by T. Ozaki I(V) for graphene ribbon Peter 1 1545 2013/12/25 04:09 by T. Ozaki Energy landscape discontinuities Jure Varlec 1 1688 2013/12/25 04:03 by T. Ozaki Very difficult scf-convergence for NEGF calculations yugd 1 1692 2013/12/21 12:06 by yugd light speed WenLiang_liu 0 1308 2013/12/13 18:02 by WenLiang_liu Wrong transmission yugd 1 2500 2013/11/20 21:40 by yugd Relativistic effects Cristian Morari 2 1647 2013/11/01 19:39 by Cristian Morari Transmission on a graphene sheet (a 2 dimensional system) yugd 1 1666 2013/10/31 13:11 by T. Ozaki makefile for sr16k machine in tokyo Vikas Sharma 1 1554 2013/10/23 18:00 by T. Ohwaki Turning off MD calculation Vijay Shankar 1 1702 2013/10/23 17:52 by T. Ozaki Is the Hartree potential computed in parallel? Jlrch 1 1385 2013/10/23 17:46 by T. Ozaki MO output in spin orbital coupling caculation YS Siew 1 1539 2013/10/23 17:42 by T. Ozaki SCF problem! Javan 1 17560 2013/09/25 04:45 by JAVAN problems on the geometry optimization of graphene yugd 3 6988 2013/09/18 08:51 by yugd relation between scf.energycutoff and scf.Ngrid dchrobak 1 8627 2013/09/17 23:10 by T. Ozaki my first impression of openmx yugd 1 8674 2013/09/17 22:41 by T. Ozaki Fock Matrix Ruibin Liu 1 1514 2013/09/17 22:32 by T. Ozaki about scf.system.charge N.Kolchenko 1 1111 2013/09/05 05:08 by N.Kolchenko Solutions for installation of OpenMX3.7 with MKL in linux64 Daniel Coimbra 8 4579 2013/09/04 14:06 by Somesh Bhattacharya openmx3.7 installation on Cygwin? K. Kachrimanis 9 2794 2013/09/03 11:47 by T.V.T. Duy Patch 3.7.6 to OpenMX Ver. 3.7 T. Ozaki 0 1553 2013/09/01 14:47 by T. Ozaki How to print out derivatives of individual H and S matrix elements LK 1 1239 2013/08/30 17:51 by T. Ozaki Patch 3.7.5 to OpenMX Ver. 3.7 T. Ozaki 0 1674 2013/08/29 17:53 by T. Ozaki openmx3.7 Gary Washington 1 1343 2013/08/23 21:52 by T. Ozaki Difference in total energy between version 3.6 and 3.7 Bob Schoeters 2 1779 2013/08/02 16:53 by Bob Schoeters Calculate energy with constrained magnitude of magnetic moment Pui-Wai Ma 1 1324 2013/08/01 22:28 by T. Ozaki Non-local potential EXcluded from vo.cube and v1.cube: why? Leonardo Makinistian 2 1733 2013/07/26 18:43 by Leonardo Makinistian Patch 3.7.4 to OpenMX Ver. 3.7 T. Ozaki 2 1741 2013/07/26 13:23 by T. Ozaki OPENMX 3.7 Installation problem Kanagaraj C 8 3977 2013/07/16 15:57 by Kanagaraj C LCAO zahra 1 1277 2013/07/11 17:48 by T. Ozaki Cell parameter for DOS of metal oxide cluster sanjeev 1 1492 2013/07/03 17:02 by T. Ozaki optical conductivity units PavelSerba 2 2502 2013/07/01 15:36 by T. Ozaki KS determinant Ruibin Liu 6 2340 2013/07/01 15:32 by T. Ozaki 2013 database completion Mauri 1 1158 2013/06/25 17:54 by T. Ozaki install openmx 3.7 on debian wheezy H T W 1 1559 2013/06/25 14:28 by T.V.T. Duy problem on installation openmx 3.7 with patch 3 on debian wheezy Ma 1 1459 2013/06/25 14:18 by T.V.T. Duy OpenMX-3.7 installation problem on Fedora 17 surender 6 5842 2013/06/17 09:26 by T. Ozaki Electronic Temperature in openmx Ruibin Liu 5 2788 2013/06/16 11:52 by T. Ozaki

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