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List of Threads Topics Author Replies Views Last Modified problem with band interpolation using HS.out M. Chen 1 2258 2014/10/27 22:48 by T. Ozaki O(N) method in Openmx Chen 1 1375 2014/10/27 22:41 by T. Ozaki patches for gcc-4.8.3/4.9.1 marcindulak 1 1048 2014/10/27 22:30 by T. Ozaki Optimized norm-conserving Vanderbilt pseudopotentials chrinide 1 1678 2014/10/27 22:26 by T. Ozaki localised and itinerant electron specification Tamal Goswami 1 2045 2014/10/27 22:18 by T. Ozaki Compile Error Hossein 1 3570 2014/09/25 18:43 by Artem Pulkin Transport Properties in Charged Compounds Leone 2 1257 2014/09/16 01:21 by Leone problem with graphene Nehmat 1 1736 2014/09/15 22:33 by Artem Pulkin Segmentation fault : NEGF step.1 The calculations for leads Lee 1 1983 2014/09/15 22:01 by Artem Pulkin installation problem Khalid 8 19457 2014/09/10 11:14 by T.V.T. Duy lapack subroutines for diagonization John Chan 1 939 2014/08/29 18:36 by Artem One more NEGF issue Artem 13 3566 2014/08/25 21:03 by Artem Dipole correction for slab calculation Sung Beom Cho 5 4516 2014/08/21 16:51 by T. Ozaki FFT of atomic orbitals M. Chen 1 1062 2014/08/20 09:25 by T. Ozaki One more question about NEGF performance Artem 1 1816 2014/08/18 18:17 by Artem bandstructure of GaAs Zahra 1 3330 2014/08/11 17:13 by T. Ozaki ADPACK calculations for ions etc. M. O. 1 1253 2014/08/11 17:09 by T. Ozaki Gold nanowire NEGF simulation no convergence Hassan 3 4183 2014/08/09 05:43 by Hassan Farooq MPSH enabled OPENMX Jaber Jahanbin 0 1707 2014/06/22 22:48 by Jaber Jahanbin Bi2Te3 topological insulator Artem 3 5570 2014/06/21 10:11 by T. Ozaki small residule charges after SCF is completed Chen 6 1617 2014/06/16 15:24 by T. Ozaki NEGF Convergence problem in Magnetic junction Umar 3 2769 2014/06/10 18:36 by Artem NEGF Convergence problem Umar 0 3348 2014/06/05 17:59 by Umar molecular-projected self-consistent Hamiltonian (MPSH) David Sharpe 2 4157 2014/06/02 17:47 by Sharpe & Afshari Spin Polarization NEGF Calculation Umar 12 4878 2014/05/30 23:48 by Umar Present wf in real space Artem Pulkin 6 3325 2014/05/29 21:31 by T. Ozaki MPI error in cluster SCF eigenvaluesolver (OpenMX3.7) Jae Nyeong Kim 1 1786 2014/05/27 23:50 by Artem Bug in MIN/MAX macros causing incorrect results Åke Sandgren 1 1405 2014/05/23 22:28 by T. Ozaki Piloting over-all transmission of the system Umar 1 2868 2014/05/23 21:17 by Artem EvsLC David G. 1 1319 2014/05/20 16:32 by T. Ozaki stop without scf convergence and ESM problems chi 1 5015 2014/05/20 16:23 by T. Ozaki explanation of transmission khan 1 1750 2014/05/16 18:50 by Artem Question about vector unity cell in Au(1 1 1) surface Leone 5 3674 2014/05/12 22:17 by Artem OpenMX program automatically exit chow 0 3261 2014/05/12 12:01 by chow Files *.bulk.xyz Leone 2 2449 2014/05/03 01:33 by Leone MPSH Afshari 0 26039 2014/04/24 05:00 by Afshari Relaxation of MoS2 Artem 9 7943 2014/04/16 08:52 by T. Ozaki Vacuum level Alfonso Sanchez 3 9753 2014/04/16 06:28 by Alfonso Sanchez problem with calculation of forces Andrzej Lusakowski 1 5763 2014/04/14 15:33 by T. Ozaki non-collinear DFT: problem in fixing spin orientation Tamal Goswami 3 2100 2014/04/14 15:29 by T. Ozaki Problem in making DosMain file DUONG Dinh Hiep 1 2080 2014/04/14 15:27 by T. Ozaki Installation problem of openmx3.7 on fedora core 19 Md. Mehboob Alam 1 1312 2014/04/10 02:16 by Masoud == Artem Pulkin 3 5944 2014/03/17 17:14 by T. Ozaki Problem about Graphene wdaobin 1 1752 2014/03/17 17:06 by T. Ozaki pseudopotential and atomic basis dai 1 5829 2014/03/17 16:51 by T. Ozaki Visualization of OpenMX data Denis Music 1 1818 2014/03/17 16:48 by T. Ozaki Change the number of data point in Density of States calculation DUONG Dinh Hiep 1 1553 2014/03/17 16:36 by T. Ozaki Optimised ZnO (1010) nonpolar surface Moh. Adhib Ulil Abso 3 2697 2014/02/20 12:13 by Moh Adhib Ulil Abso Patch 3.7.8 to OpenMX Ver. 3.7 T. Ozaki 0 2090 2014/02/17 12:16 by T. Ozaki Current in *.current file from NEGF J 1 1776 2014/02/07 15:35 by T. Ozaki

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