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List of Threads Topics Author Replies Views Last Modified MPSH enabled OPENMX Jaber Jahanbin 0 1755 2014/06/22 22:48 by Jaber Jahanbin Bi2Te3 topological insulator Artem 3 5932 2014/06/21 10:11 by T. Ozaki small residule charges after SCF is completed Chen 6 1693 2014/06/16 15:24 by T. Ozaki NEGF Convergence problem in Magnetic junction Umar 3 2841 2014/06/10 18:36 by Artem NEGF Convergence problem Umar 0 3414 2014/06/05 17:59 by Umar molecular-projected self-consistent Hamiltonian (MPSH) David Sharpe 2 4251 2014/06/02 17:47 by Sharpe & Afshari Spin Polarization NEGF Calculation Umar 12 5021 2014/05/30 23:48 by Umar Present wf in real space Artem Pulkin 6 3412 2014/05/29 21:31 by T. Ozaki MPI error in cluster SCF eigenvaluesolver (OpenMX3.7) Jae Nyeong Kim 1 1851 2014/05/27 23:50 by Artem Bug in MIN/MAX macros causing incorrect results &#197;ke Sandgren 1 1453 2014/05/23 22:28 by T. Ozaki Piloting over-all transmission of the system Umar 1 2917 2014/05/23 21:17 by Artem EvsLC David G. 1 1366 2014/05/20 16:32 by T. Ozaki stop without scf convergence and ESM problems chi 1 5089 2014/05/20 16:23 by T. Ozaki explanation of transmission khan 1 1804 2014/05/16 18:50 by Artem Question about vector unity cell in Au(1 1 1) surface Leone 5 3729 2014/05/12 22:17 by Artem OpenMX program automatically exit chow 0 3336 2014/05/12 12:01 by chow Files *.bulk.xyz Leone 2 2523 2014/05/03 01:33 by Leone MPSH Afshari 0 26087 2014/04/24 05:00 by Afshari Relaxation of MoS2 Artem 9 8259 2014/04/16 08:52 by T. Ozaki Vacuum level Alfonso Sanchez 3 9866 2014/04/16 06:28 by Alfonso Sanchez problem with calculation of forces Andrzej Lusakowski 1 5823 2014/04/14 15:33 by T. Ozaki non-collinear DFT: problem in fixing spin orientation Tamal Goswami 3 2192 2014/04/14 15:29 by T. Ozaki Problem in making DosMain file DUONG Dinh Hiep 1 2169 2014/04/14 15:27 by T. Ozaki Installation problem of openmx3.7 on fedora core 19 Md. Mehboob Alam 1 1373 2014/04/10 02:16 by Masoud == Artem Pulkin 3 6002 2014/03/17 17:14 by T. Ozaki Problem about Graphene wdaobin 1 1820 2014/03/17 17:06 by T. Ozaki pseudopotential and atomic basis dai 1 5887 2014/03/17 16:51 by T. Ozaki Visualization of OpenMX data Denis Music 1 1894 2014/03/17 16:48 by T. Ozaki Change the number of data point in Density of States calculation DUONG Dinh Hiep 1 1601 2014/03/17 16:36 by T. Ozaki Optimised ZnO (1010) nonpolar surface Moh. Adhib Ulil Abso 3 2780 2014/02/20 12:13 by Moh Adhib Ulil Abso Patch 3.7.8 to OpenMX Ver. 3.7 T. Ozaki 0 2146 2014/02/17 12:16 by T. Ozaki Current in *.current file from NEGF J 1 1832 2014/02/07 15:35 by T. Ozaki Running openMX on Cray XC30 Yu Xie 2 1821 2014/02/07 04:43 by Yu Xie unit of cube file J 3 3432 2014/01/31 23:32 by J Patch 3.7.7 to OpenMX Ver. 3.7 T. Ozaki 0 5042 2014/01/31 17:40 by T. Ozaki Kohn Sham energy levels and Hartree potential Le The Anh 9 4534 2014/01/29 18:34 by Le The Anh Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira 1 5794 2014/01/28 09:47 by T. Ozaki pseudopotential for positive charged atoms JT 1 1810 2014/01/28 09:44 by T. Ozaki Mr. Yu Xie 1 6849 2014/01/24 02:25 by Yu Xie My first post Imeldran 0 1327 2013/12/27 02:21 by Imeldran charge density in a given energy range J 2 1801 2013/12/25 12:56 by J light speed in the code WenLiang_liu 1 2194 2013/12/25 04:21 by T. Ozaki <RF> ERROR, aborting yugd 1 1552 2013/12/25 04:16 by T. Ozaki Atom projected band structure Eike Schwier 1 1731 2013/12/25 04:13 by T. Ozaki Stress calculation Somesh Bhattacharya 1 1565 2013/12/25 04:11 by T. Ozaki I(V) for graphene ribbon Peter 1 1600 2013/12/25 04:09 by T. Ozaki Energy landscape discontinuities Jure Varlec 1 1745 2013/12/25 04:03 by T. Ozaki Very difficult scf-convergence for NEGF calculations yugd 1 1751 2013/12/21 12:06 by yugd light speed WenLiang_liu 0 1357 2013/12/13 18:02 by WenLiang_liu Wrong transmission yugd 1 2588 2013/11/20 21:40 by yugd

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