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List of Threads Topics Author Replies Views Last Modified I had some error when I tried to install openMX Wang Yuanqing 2 1135 2014/11/12 15:01 by Yuanqing Wang Transmission Through Silicene Vahid 1 1133 2014/11/03 19:12 by Artem Pulkin Installing Openmx with Ifort and Icc Vahid 2 1743 2014/10/31 22:23 by Vahid including hybrid functional Mosahhar 0 1018 2014/10/28 16:17 by Mosahhar DFT-D2 Julieth 2 1309 2014/10/28 04:59 by Julieth problem with band interpolation using HS.out M. Chen 1 2275 2014/10/27 22:48 by T. Ozaki O(N) method in Openmx Chen 1 1391 2014/10/27 22:41 by T. Ozaki patches for gcc-4.8.3/4.9.1 marcindulak 1 1068 2014/10/27 22:30 by T. Ozaki Optimized norm-conserving Vanderbilt pseudopotentials chrinide 1 1699 2014/10/27 22:26 by T. Ozaki localised and itinerant electron specification Tamal Goswami 1 2061 2014/10/27 22:18 by T. Ozaki Compile Error Hossein 1 3653 2014/09/25 18:43 by Artem Pulkin Transport Properties in Charged Compounds Leone 2 1271 2014/09/16 01:21 by Leone problem with graphene Nehmat 1 1766 2014/09/15 22:33 by Artem Pulkin Segmentation fault : NEGF step.1 The calculations for leads Lee 1 1998 2014/09/15 22:01 by Artem Pulkin installation problem Khalid 8 19515 2014/09/10 11:14 by T.V.T. Duy lapack subroutines for diagonization John Chan 1 956 2014/08/29 18:36 by Artem One more NEGF issue Artem 13 3593 2014/08/25 21:03 by Artem Dipole correction for slab calculation Sung Beom Cho 5 4583 2014/08/21 16:51 by T. Ozaki FFT of atomic orbitals M. Chen 1 1079 2014/08/20 09:25 by T. Ozaki One more question about NEGF performance Artem 1 1837 2014/08/18 18:17 by Artem bandstructure of GaAs Zahra 1 3347 2014/08/11 17:13 by T. Ozaki ADPACK calculations for ions etc. M. O. 1 1273 2014/08/11 17:09 by T. Ozaki Gold nanowire NEGF simulation no convergence Hassan 3 4210 2014/08/09 05:43 by Hassan Farooq MPSH enabled OPENMX Jaber Jahanbin 0 1719 2014/06/22 22:48 by Jaber Jahanbin Bi2Te3 topological insulator Artem 3 5693 2014/06/21 10:11 by T. Ozaki small residule charges after SCF is completed Chen 6 1642 2014/06/16 15:24 by T. Ozaki NEGF Convergence problem in Magnetic junction Umar 3 2793 2014/06/10 18:36 by Artem NEGF Convergence problem Umar 0 3373 2014/06/05 17:59 by Umar molecular-projected self-consistent Hamiltonian (MPSH) David Sharpe 2 4183 2014/06/02 17:47 by Sharpe & Afshari Spin Polarization NEGF Calculation Umar 12 4916 2014/05/30 23:48 by Umar Present wf in real space Artem Pulkin 6 3356 2014/05/29 21:31 by T. Ozaki MPI error in cluster SCF eigenvaluesolver (OpenMX3.7) Jae Nyeong Kim 1 1804 2014/05/27 23:50 by Artem Bug in MIN/MAX macros causing incorrect results Åke Sandgren 1 1418 2014/05/23 22:28 by T. Ozaki Piloting over-all transmission of the system Umar 1 2882 2014/05/23 21:17 by Artem EvsLC David G. 1 1334 2014/05/20 16:32 by T. Ozaki stop without scf convergence and ESM problems chi 1 5035 2014/05/20 16:23 by T. Ozaki explanation of transmission khan 1 1765 2014/05/16 18:50 by Artem Question about vector unity cell in Au(1 1 1) surface Leone 5 3692 2014/05/12 22:17 by Artem OpenMX program automatically exit chow 0 3285 2014/05/12 12:01 by chow Files *.bulk.xyz Leone 2 2475 2014/05/03 01:33 by Leone MPSH Afshari 0 26053 2014/04/24 05:00 by Afshari Relaxation of MoS2 Artem 9 8039 2014/04/16 08:52 by T. Ozaki Vacuum level Alfonso Sanchez 3 9790 2014/04/16 06:28 by Alfonso Sanchez problem with calculation of forces Andrzej Lusakowski 1 5780 2014/04/14 15:33 by T. Ozaki non-collinear DFT: problem in fixing spin orientation Tamal Goswami 3 2130 2014/04/14 15:29 by T. Ozaki Problem in making DosMain file DUONG Dinh Hiep 1 2101 2014/04/14 15:27 by T. Ozaki Installation problem of openmx3.7 on fedora core 19 Md. Mehboob Alam 1 1330 2014/04/10 02:16 by Masoud == Artem Pulkin 3 5961 2014/03/17 17:14 by T. Ozaki Problem about Graphene wdaobin 1 1773 2014/03/17 17:06 by T. Ozaki pseudopotential and atomic basis dai 1 5845 2014/03/17 16:51 by T. Ozaki

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