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List of Threads Topics Author Replies Views Last Modified Pseudo-potential for fictitious atoms PR 3 672 2015/02/23 03:21 by PR Patch 3.7.10 to OpenMX Ver. 3.7 T. Ozaki 0 580 2015/02/21 23:16 by T. Ozaki Patch 3.7.9 to OpenMX Ver. 3.7 T. Ozaki 2 655 2015/02/21 22:50 by marcindulak atomic structure for NEGF Darek 5 711 2015/02/20 19:31 by Darek Small problem in bandgnu13 file Seungjin 1 561 2015/02/20 16:57 by T. Ozaki installation problem Mosahhar 1 650 2015/02/20 13:18 by T. Ozaki OpenMX consumes memory and dies Artem Pulkin 1 603 2015/02/20 13:15 by T. Ozaki Compile Error! masoud 12 4136 2015/02/19 00:05 by Masoud scf convergence problem on Iron based supercell consisting of 484 atoms Yueqiang Gu 5 692 2015/02/11 11:47 by Yueqiang Gu scf convergence problem of Pt(111) slab Wang Yuanqing 10 1031 2015/02/10 21:45 by T. Ozaki pseudo-atomic basis orbitals Riemann 1 683 2015/02/10 21:38 by T. Ozaki how to read *.md file using XCrySDen software Wang Yuanqing 3 875 2015/02/10 19:13 by Denis Music Total energy in NEGF Artem Pulkin 6 266 2015/01/29 18:56 by Artem Pulkin Transmisson through silicene Vahid 0 508 2015/01/22 20:23 by Vahid MLWF obtained from OpenMX Guodong Yu 4 769 2015/01/22 11:10 by Guodong Yu Electrostatic potential between leads in NEGF transport calculations Konstantin Khromov 2 579 2015/01/20 19:45 by Konstantin Khromov gcc error William 1 647 2014/12/15 14:27 by T.V.T. Duy problem about example Gly_NH.dat Wang Yuanqing 2 578 2014/12/12 10:46 by Yuanqing Wang The 3rd OpenMX/QMAS workshop T. Ozaki 0 768 2014/12/11 23:56 by T. Ozaki mismatched energy values on same symmetry points Kuraya 3 621 2014/12/11 22:12 by T. Ozaki no error no run! masoud 1 525 2014/12/11 01:24 by Artem Pulkin md calculation error Wang Yuanqing 1 636 2014/12/10 19:09 by Artem Pulkin PAO and VPS for Carbon Konstantin Khromov 2 715 2014/11/27 06:26 by T. Ozaki Doctor Konstantin Khromov 1 597 2014/11/26 20:29 by Konstantin Khromov INput file for Bi2Se3 ANANT 1 674 2014/11/24 20:12 by Artem Pulkin Writing the code for (1,1,1) surface for any crystal ANANT 1 563 2014/11/23 08:29 by T. Ozaki Question about non-collinear MLWF calculation Limillas 1 827 2014/11/23 08:26 by T. Ozaki VPS and PAO for Terbium M. M. Anas 2 683 2014/11/21 19:05 by M. M. Anas NEGF and insulators Artem Pulkin 1 724 2014/11/21 00:09 by T. Ozaki Fe spin numbers Sepideh 2 680 2014/11/15 02:12 by sepideh discrepancies results between openmx-siesta-vasp on slab calculation without vdw Duverger Eric 2 1011 2014/11/14 06:30 by Duverger I had some error when I tried to install openMX Wang Yuanqing 2 839 2014/11/12 15:01 by Yuanqing Wang Transmission Through Silicene Vahid 1 869 2014/11/03 19:12 by Artem Pulkin Installing Openmx with Ifort and Icc Vahid 2 1472 2014/10/31 22:23 by Vahid including hybrid functional Mosahhar 0 713 2014/10/28 16:17 by Mosahhar DFT-D2 Julieth 2 1080 2014/10/28 04:59 by Julieth problem with band interpolation using HS.out M. Chen 1 1984 2014/10/27 22:48 by T. Ozaki O(N) method in Openmx Chen 1 1182 2014/10/27 22:41 by T. Ozaki patches for gcc-4.8.3/4.9.1 marcindulak 1 775 2014/10/27 22:30 by T. Ozaki Optimized norm-conserving Vanderbilt pseudopotentials chrinide 1 1393 2014/10/27 22:26 by T. Ozaki localised and itinerant electron specification Tamal Goswami 1 1841 2014/10/27 22:18 by T. Ozaki Compile Error Hossein 1 2711 2014/09/25 18:43 by Artem Pulkin Transport Properties in Charged Compounds Leone 2 1063 2014/09/16 01:21 by Leone problem with graphene Nehmat 1 1400 2014/09/15 22:33 by Artem Pulkin Segmentation fault : NEGF step.1 The calculations for leads Lee 1 1789 2014/09/15 22:01 by Artem Pulkin installation problem Khalid 8 18803 2014/09/10 11:14 by T.V.T. Duy lapack subroutines for diagonization John Chan 1 741 2014/08/29 18:36 by Artem One more NEGF issue Artem 13 3196 2014/08/25 21:03 by Artem Dipole correction for slab calculation Sung Beom Cho 5 3487 2014/08/21 16:51 by T. Ozaki FFT of atomic orbitals M. Chen 1 858 2014/08/20 09:25 by T. Ozaki

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