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List of Threads Topics Author Replies Views Last Modified Files *.bulk.xyz Leone 2 2564 2014/05/03 01:33 by Leone MPSH Afshari 0 26123 2014/04/24 05:00 by Afshari Relaxation of MoS2 Artem 9 8483 2014/04/16 08:52 by T. Ozaki Vacuum level Alfonso Sanchez 3 9940 2014/04/16 06:28 by Alfonso Sanchez problem with calculation of forces Andrzej Lusakowski 1 5877 2014/04/14 15:33 by T. Ozaki non-collinear DFT: problem in fixing spin orientation Tamal Goswami 3 2252 2014/04/14 15:29 by T. Ozaki Problem in making DosMain file DUONG Dinh Hiep 1 2248 2014/04/14 15:27 by T. Ozaki Installation problem of openmx3.7 on fedora core 19 Md. Mehboob Alam 1 1421 2014/04/10 02:16 by Masoud == Artem Pulkin 3 6048 2014/03/17 17:14 by T. Ozaki Problem about Graphene wdaobin 1 1876 2014/03/17 17:06 by T. Ozaki pseudopotential and atomic basis dai 1 5933 2014/03/17 16:51 by T. Ozaki Visualization of OpenMX data Denis Music 1 1962 2014/03/17 16:48 by T. Ozaki Change the number of data point in Density of States calculation DUONG Dinh Hiep 1 1642 2014/03/17 16:36 by T. Ozaki Optimised ZnO (1010) nonpolar surface Moh. Adhib Ulil Abso 3 2835 2014/02/20 12:13 by Moh Adhib Ulil Abso Patch 3.7.8 to OpenMX Ver. 3.7 T. Ozaki 0 2185 2014/02/17 12:16 by T. Ozaki Current in *.current file from NEGF J 1 1878 2014/02/07 15:35 by T. Ozaki Running openMX on Cray XC30 Yu Xie 2 1860 2014/02/07 04:43 by Yu Xie unit of cube file J 3 3521 2014/01/31 23:32 by J Patch 3.7.7 to OpenMX Ver. 3.7 T. Ozaki 0 5081 2014/01/31 17:40 by T. Ozaki Kohn Sham energy levels and Hartree potential Le The Anh 9 4668 2014/01/29 18:34 by Le The Anh Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira 1 5881 2014/01/28 09:47 by T. Ozaki pseudopotential for positive charged atoms JT 1 1858 2014/01/28 09:44 by T. Ozaki Mr. Yu Xie 1 6897 2014/01/24 02:25 by Yu Xie My first post Imeldran 0 1368 2013/12/27 02:21 by Imeldran charge density in a given energy range J 2 1846 2013/12/25 12:56 by J light speed in the code WenLiang_liu 1 2241 2013/12/25 04:21 by T. Ozaki <RF> ERROR, aborting yugd 1 1591 2013/12/25 04:16 by T. Ozaki Atom projected band structure Eike Schwier 1 1791 2013/12/25 04:13 by T. Ozaki Stress calculation Somesh Bhattacharya 1 1616 2013/12/25 04:11 by T. Ozaki I(V) for graphene ribbon Peter 1 1644 2013/12/25 04:09 by T. Ozaki Energy landscape discontinuities Jure Varlec 1 1793 2013/12/25 04:03 by T. Ozaki Very difficult scf-convergence for NEGF calculations yugd 1 1799 2013/12/21 12:06 by yugd light speed WenLiang_liu 0 1398 2013/12/13 18:02 by WenLiang_liu Wrong transmission yugd 1 2667 2013/11/20 21:40 by yugd Relativistic effects Cristian Morari 2 1740 2013/11/01 19:39 by Cristian Morari Transmission on a graphene sheet (a 2 dimensional system) yugd 1 1754 2013/10/31 13:11 by T. Ozaki makefile for sr16k machine in tokyo Vikas Sharma 1 1650 2013/10/23 18:00 by T. Ohwaki Turning off MD calculation Vijay Shankar 1 1803 2013/10/23 17:52 by T. Ozaki Is the Hartree potential computed in parallel? Jlrch 1 1471 2013/10/23 17:46 by T. Ozaki MO output in spin orbital coupling caculation YS Siew 1 1639 2013/10/23 17:42 by T. Ozaki SCF problem! Javan 1 17654 2013/09/25 04:45 by JAVAN problems on the geometry optimization of graphene yugd 3 7193 2013/09/18 08:51 by yugd relation between scf.energycutoff and scf.Ngrid dchrobak 1 8791 2013/09/17 23:10 by T. Ozaki my first impression of openmx yugd 1 8782 2013/09/17 22:41 by T. Ozaki Fock Matrix Ruibin Liu 1 1620 2013/09/17 22:32 by T. Ozaki about scf.system.charge N.Kolchenko 1 1210 2013/09/05 05:08 by N.Kolchenko Solutions for installation of OpenMX3.7 with MKL in linux64 Daniel Coimbra 8 4890 2013/09/04 14:06 by Somesh Bhattacharya openmx3.7 installation on Cygwin? K. Kachrimanis 9 2987 2013/09/03 11:47 by T.V.T. Duy Patch 3.7.6 to OpenMX Ver. 3.7 T. Ozaki 0 1659 2013/09/01 14:47 by T. Ozaki How to print out derivatives of individual H and S matrix elements LK 1 1355 2013/08/30 17:51 by T. Ozaki

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