OpenMX Forum

New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration

List of Threads Topics Author Replies Views Last Modified scf convergence issues in NEGF calculations Aaron Thong 6 2331 2015/03/31 21:48 by Artem Pulkin how to fix Unit cell angle Jai Prakash 1 1486 2015/03/31 21:11 by Aaron Thong Notes on Compilation of OpenMX T. Ozaki 0 1573 2015/03/31 11:49 by T. Ozaki For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma? Kuan Zhou 3 7730 2015/03/30 17:47 by Artem Pulkin For band calculation of MoS2, I found band edges are correct, but not for the higher bands. Kuan Zhou 4 2390 2015/03/30 05:03 by Kuan Zhou Optimization NOT converged when calculation wannier function huei chen 0 2259 2015/03/26 17:28 by huei chen Turning off calculation of forces Felipe Jornada 1 1537 2015/03/26 13:37 by T. Ozaki bandstructure problem Mosahar 11 1972 2015/03/25 20:59 by Mosahar prallel installation Haider Abbas 1 1498 2015/03/25 01:03 by sungwoojang PDOS for arbitrary orbital Seungjin 3 1872 2015/03/16 18:01 by Seungjin Reza Behjatmanesh 1 1845 2015/03/13 23:26 by Reza error of negf Weiqi Lee 0 1498 2015/03/13 19:09 by Weiqi Lee A unable to understand problem in NEGF calculation Weiqi Lee 0 1489 2015/03/13 18:44 by Weiqi Lee Optical propertiese of Graphene Smart 1 1533 2015/03/10 13:36 by T. Ozaki What does d1~d5 mean in PDOS file? Seungjin 2 1743 2015/03/04 13:00 by Seungjin openmx and linux distribution Mosahhar 10 2335 2015/03/02 19:03 by marcindulak Output files on HPC facilities Mauro Sgroi 1 1437 2015/02/26 09:40 by T. Ozaki DFT+U: different oxidation states on the same element (charge ordering) Mauro Sgroi 2 1646 2015/02/23 23:27 by Mauro Sgroi Pseudo-potential for fictitious atoms PR 3 1887 2015/02/23 03:21 by PR Patch 3.7.10 to OpenMX Ver. 3.7 T. Ozaki 0 1511 2015/02/21 23:16 by T. Ozaki Patch 3.7.9 to OpenMX Ver. 3.7 T. Ozaki 2 1669 2015/02/21 22:50 by marcindulak atomic structure for NEGF Darek 5 1963 2015/02/20 19:31 by Darek Small problem in bandgnu13 file Seungjin 1 1452 2015/02/20 16:57 by T. Ozaki installation problem Mosahhar 1 1684 2015/02/20 13:18 by T. Ozaki OpenMX consumes memory and dies Artem Pulkin 1 1622 2015/02/20 13:15 by T. Ozaki Compile Error! masoud 12 8309 2015/02/19 00:05 by Masoud scf convergence problem on Iron based supercell consisting of 484 atoms Yueqiang Gu 5 1909 2015/02/11 11:47 by Yueqiang Gu scf convergence problem of Pt(111) slab Wang Yuanqing 10 2665 2015/02/10 21:45 by T. Ozaki pseudo-atomic basis orbitals Riemann 1 2074 2015/02/10 21:38 by T. Ozaki how to read *.md file using XCrySDen software Wang Yuanqing 3 2286 2015/02/10 19:13 by Denis Music Total energy in NEGF Artem Pulkin 6 1416 2015/01/29 18:56 by Artem Pulkin Transmisson through silicene Vahid 0 1488 2015/01/22 20:23 by Vahid MLWF obtained from OpenMX Guodong Yu 4 1889 2015/01/22 11:10 by Guodong Yu Electrostatic potential between leads in NEGF transport calculations Konstantin Khromov 2 1513 2015/01/20 19:45 by Konstantin Khromov gcc error William 1 1595 2014/12/15 14:27 by T.V.T. Duy problem about example Gly_NH.dat Wang Yuanqing 2 1568 2014/12/12 10:46 by Yuanqing Wang The 3rd OpenMX/QMAS workshop T. Ozaki 0 1671 2014/12/11 23:56 by T. Ozaki mismatched energy values on same symmetry points Kuraya 3 1510 2014/12/11 22:12 by T. Ozaki no error no run! masoud 1 1387 2014/12/11 01:24 by Artem Pulkin md calculation error Wang Yuanqing 1 1631 2014/12/10 19:09 by Artem Pulkin PAO and VPS for Carbon Konstantin Khromov 2 1754 2014/11/27 06:26 by T. Ozaki Doctor Konstantin Khromov 1 1471 2014/11/26 20:29 by Konstantin Khromov INput file for Bi2Se3 ANANT 1 1862 2014/11/24 20:12 by Artem Pulkin Writing the code for (1,1,1) surface for any crystal ANANT 1 1421 2014/11/23 08:29 by T. Ozaki Question about non-collinear MLWF calculation Limillas 1 2127 2014/11/23 08:26 by T. Ozaki VPS and PAO for Terbium M. M. Anas 2 1573 2014/11/21 19:05 by M. M. Anas NEGF and insulators Artem Pulkin 1 1619 2014/11/21 00:09 by T. Ozaki Fe spin numbers Sepideh 2 1623 2014/11/15 02:12 by sepideh discrepancies results between openmx-siesta-vasp on slab calculation without vdw Duverger Eric 2 2411 2014/11/14 06:30 by Duverger I had some error when I tried to install openMX Wang Yuanqing 2 1888 2014/11/12 15:01 by Yuanqing Wang

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30]

Open Thread    Locked Thread    Alarm（More than 900 replies）   Message from Administrator

- Web Patio -