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List of Threads Topics Author Replies Views Last Modified FFT of atomic orbitals M. Chen 1 1009 2014/08/20 09:25 by T. Ozaki One more question about NEGF performance Artem 1 1761 2014/08/18 18:17 by Artem bandstructure of GaAs Zahra 1 3278 2014/08/11 17:13 by T. Ozaki ADPACK calculations for ions etc. M. O. 1 1207 2014/08/11 17:09 by T. Ozaki Gold nanowire NEGF simulation no convergence Hassan 3 4121 2014/08/09 05:43 by Hassan Farooq MPSH enabled OPENMX Jaber Jahanbin 0 1664 2014/06/22 22:48 by Jaber Jahanbin Bi2Te3 topological insulator Artem 3 5276 2014/06/21 10:11 by T. Ozaki small residule charges after SCF is completed Chen 6 1554 2014/06/16 15:24 by T. Ozaki NEGF Convergence problem in Magnetic junction Umar 3 2694 2014/06/10 18:36 by Artem NEGF Convergence problem Umar 0 3277 2014/06/05 17:59 by Umar molecular-projected self-consistent Hamiltonian (MPSH) David Sharpe 2 4071 2014/06/02 17:47 by Sharpe & Afshari Spin Polarization NEGF Calculation Umar 12 4792 2014/05/30 23:48 by Umar Present wf in real space Artem Pulkin 6 3243 2014/05/29 21:31 by T. Ozaki MPI error in cluster SCF eigenvaluesolver (OpenMX3.7) Jae Nyeong Kim 1 1725 2014/05/27 23:50 by Artem Bug in MIN/MAX macros causing incorrect results &#197;ke Sandgren 1 1365 2014/05/23 22:28 by T. Ozaki Piloting over-all transmission of the system Umar 1 2818 2014/05/23 21:17 by Artem EvsLC David G. 1 1276 2014/05/20 16:32 by T. Ozaki stop without scf convergence and ESM problems chi 1 4947 2014/05/20 16:23 by T. Ozaki explanation of transmission khan 1 1702 2014/05/16 18:50 by Artem Question about vector unity cell in Au(1 1 1) surface Leone 5 3622 2014/05/12 22:17 by Artem OpenMX program automatically exit chow 0 3201 2014/05/12 12:01 by chow Files *.bulk.xyz Leone 2 2382 2014/05/03 01:33 by Leone MPSH Afshari 0 25997 2014/04/24 05:00 by Afshari Relaxation of MoS2 Artem 9 7726 2014/04/16 08:52 by T. Ozaki Vacuum level Alfonso Sanchez 3 9664 2014/04/16 06:28 by Alfonso Sanchez problem with calculation of forces Andrzej Lusakowski 1 5707 2014/04/14 15:33 by T. Ozaki non-collinear DFT: problem in fixing spin orientation Tamal Goswami 3 2021 2014/04/14 15:29 by T. Ozaki Problem in making DosMain file DUONG Dinh Hiep 1 2017 2014/04/14 15:27 by T. Ozaki Installation problem of openmx3.7 on fedora core 19 Md. Mehboob Alam 1 1259 2014/04/10 02:16 by Masoud == Artem Pulkin 3 5889 2014/03/17 17:14 by T. Ozaki Problem about Graphene wdaobin 1 1695 2014/03/17 17:06 by T. Ozaki pseudopotential and atomic basis dai 1 5776 2014/03/17 16:51 by T. Ozaki Visualization of OpenMX data Denis Music 1 1767 2014/03/17 16:48 by T. Ozaki Change the number of data point in Density of States calculation DUONG Dinh Hiep 1 1506 2014/03/17 16:36 by T. Ozaki Optimised ZnO (1010) nonpolar surface Moh. Adhib Ulil Abso 3 2633 2014/02/20 12:13 by Moh Adhib Ulil Abso Patch 3.7.8 to OpenMX Ver. 3.7 T. Ozaki 0 2037 2014/02/17 12:16 by T. Ozaki Current in *.current file from NEGF J 1 1731 2014/02/07 15:35 by T. Ozaki Running openMX on Cray XC30 Yu Xie 2 1722 2014/02/07 04:43 by Yu Xie unit of cube file J 3 3222 2014/01/31 23:32 by J Patch 3.7.7 to OpenMX Ver. 3.7 T. Ozaki 0 4932 2014/01/31 17:40 by T. Ozaki Kohn Sham energy levels and Hartree potential Le The Anh 9 4191 2014/01/29 18:34 by Le The Anh Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira 1 5599 2014/01/28 09:47 by T. Ozaki pseudopotential for positive charged atoms JT 1 1704 2014/01/28 09:44 by T. Ozaki Mr. Yu Xie 1 6738 2014/01/24 02:25 by Yu Xie My first post Imeldran 0 1241 2013/12/27 02:21 by Imeldran charge density in a given energy range J 2 1710 2013/12/25 12:56 by J light speed in the code WenLiang_liu 1 2098 2013/12/25 04:21 by T. Ozaki <RF> ERROR, aborting yugd 1 1462 2013/12/25 04:16 by T. Ozaki Atom projected band structure Eike Schwier 1 1616 2013/12/25 04:13 by T. Ozaki Stress calculation Somesh Bhattacharya 1 1465 2013/12/25 04:11 by T. Ozaki

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