OpenMX Forum

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

List of Threads Topics Author Replies Views Last Modified exchange coupling constants error ycwu 0 524 2018/03/13 16:18 by ycwu Problem in Geometry Optimization Reza 4 980 2018/03/12 21:25 by Reza error message(NEGF calculation) Yukinori Sakamoto 5 850 2018/03/05 13:43 by T. Ozaki Patch 3.8.4 to OpenMX Ver. 3.8 T. Ozaki 0 524 2018/03/05 13:33 by T. Ozaki NEGF calculations. Hashmi 5 728 2018/03/05 13:13 by T. Ozaki undefined reference to Riemann 1 572 2018/03/04 21:18 by T. Ozaki tunneling transport process Boshra 1 534 2018/03/04 21:11 by T. Ozaki Is exchange parameter calculated from band energy Uele ? Min Yi 1 760 2018/03/04 08:13 by T. Ozaki Where does the discontinuity of the applied electric sawtooth potential occur in the super cell? Xiangyang Peng 4 820 2018/03/02 15:10 by T. Ozaki problem while cmpiling openmx3.8 with intel 2015 fang liwen 1 487 2018/03/02 15:06 by T. Ozaki a limit to the number of atoms fxj 1 441 2018/03/02 14:55 by T. Ozaki The total size of the input file xuanlv 1 479 2018/03/02 14:53 by T. Ozaki System.Name.conductance satoru tanibayashi 1 454 2018/03/02 14:40 by T. Ozaki Convergence problem in scf using Hubbard Mohammad 1 613 2018/02/23 18:45 by T. Ozaki Is it possible to control orbital occupancy? Pang 1 456 2018/02/23 18:37 by T. Ozaki Spin texture in OpenMX Samuel Dechamps 4 978 2018/01/24 23:22 by Samuel Dechamps Unable to do NEGF calculaton on the tutorials Prashant 2 774 2018/01/24 14:47 by Prashant How to get overlap matrix at each k-point Shogo Nakamura 2 994 2017/12/21 13:47 by S. Nakamura Work function calculations and the PAO cutoff radius Konstantin Khromov 7 913 2017/12/16 23:39 by Naoya Yamaguchi Student Amirhossein Bayani 5 756 2017/12/15 13:14 by Yung-Ting Lee A question about scf.Kgrid Mosahhar 1 592 2017/12/14 10:34 by Chi-Cheng Lee Question regarding Wannier calculations Hashmi 5 890 2017/12/14 10:28 by Chi-Cheng Lee Hubbard U calculation Reza 1 643 2017/12/14 10:12 by Chi-Cheng Lee Spin direction in Wannier function MHirayama 1 577 2017/12/04 15:18 by MHirayama Can the heat transfer rate of the model be calculated by the molecular dynamics calibrated by speed fxj 0 467 2017/12/01 16:12 by fxj MD.Init.Velocity fengxiaojng 0 454 2017/11/29 16:26 by fengxiaojng Convergence criterion for NCDFT-SOC Evgenia Kovaleva 1 563 2017/11/26 02:55 by Naoya Yamaguchi K-vector unit in band structure plot Mosahhar 2 473 2017/11/23 16:02 by Mosahhar Gaussian cube files and periodicity lzotti 2 553 2017/11/20 23:23 by lzotti Z2 invariant/Chern number Peter 1 776 2017/11/16 16:46 by Hikaru Sawahata spin index for Kohn-Sham Hamiltonian Chen 1 547 2017/10/26 20:16 by Daniil error message() Yukinori Sakamoto 1 600 2017/10/12 16:53 by Yukinori Sakamoto clusters deniz 1 606 2017/09/30 11:59 by T. Ozaki atomic coordinates Mojtaba 1 803 2017/09/28 17:32 by Yung Ting Lee Augment data in scfout Peter Koval 1 539 2017/09/23 09:28 by T. Ozaki cell stress and atomic stress Yukinori Sakamoto 1 638 2017/09/07 17:05 by T. Ozaki MD step update and mixing weight; specification or problem? Asako Terasawa 5 653 2017/09/07 17:01 by T. Ozaki How to get charge distribution for large supercell? G.Banach 2 589 2017/08/25 04:35 by G.Banach how to keep spin direction tata 2 596 2017/08/22 11:15 by T. Ozaki restart tata 5 587 2017/08/17 18:22 by tata How to calculate binding energy of a core level in bulks Chuan-Lu Yang 1 543 2017/08/17 13:23 by T. Ozaki mpich & openmpi tata 2 857 2017/08/03 17:40 by tata exchange coupling tata 1 641 2017/08/01 22:48 by T. Ozaki OpenFFT non-orthogonal box Pui-Wai (Leo) Ma 1 533 2017/08/01 22:46 by T. Ozaki Convergence problem? Asako Terasawa 5 1200 2017/08/01 18:07 by Asako Terasawa External pseudopotentials and large structures Daniil 13 991 2017/07/17 03:57 by Daniil Dipole Moment Correction Somesh Bhattacharya 1 676 2017/07/15 00:11 by Christopher Latham How to assign Hubbard U values to the two d basis orbitals of Fe atom (LDA+U)? Xiangyang Peng 4 1060 2017/07/06 11:14 by Xiangyang Peng about Charge doping ? Viet Hung Nguyen 6 849 2017/07/05 02:43 by Viet Hung Nguyen unable to make VPS for C with adpack (segmentation fault) [CONFIRMED] Chris Latham 10 931 2017/07/03 01:16 by Daniil

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23]

Open Thread    Locked Thread    Alarm（More than 180 replies）   Message from Administrator

- Web Patio -