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List of Threads Topics Author Replies Views Last Modified Work Function of graphene Renato 2 320 2018/05/26 00:02 by Renato How to plot Vhart in a given direction. Carlos 2 253 2018/05/23 03:16 by Carlos Step3 of Transport Calculation is not successful Mobin 5 311 2018/05/22 02:04 by Naoya Yamaguchi Error in installation M.S 2 356 2018/05/21 23:41 by M.S Can it be calculated across a node? That is, cluster testing xuanlv 0 193 2018/05/10 10:17 by xuanlv Running the example of Cr2_CNC.dat program is reporting errors lucky 6 322 2018/05/09 20:46 by lucky phononic spectra Riemann 0 283 2018/05/08 16:29 by Riemann How to determine the Euler angle in Atoms.SpeciesAndCoordinates lucky 7 312 2018/05/05 18:02 by lucky Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical Potential Riemann 1 245 2018/05/02 00:59 by Naoya Yamaguchi add_gcube.c Riemann 5 260 2018/05/01 16:48 by Riemann num.LUMO Riemann 6 250 2018/05/01 16:43 by Riemann TranMain and cluster calculations lz 0 331 2018/04/27 14:11 by lz Hardware configuration requirements for the server xuanlv 0 191 2018/04/27 11:24 by xuanlv scf convergence problem in GaFeO3 reza 0 246 2018/04/23 01:33 by reza Convergence problem in magnetic slab calculation Eike F. Schwier 5 618 2018/04/22 22:34 by reza Spin-orbit interaction and electron structure in NCDFT Daniil 10 660 2018/04/19 04:02 by Daniil SCF Convergence Error for Antiferromagnetic Nd2CuO4 Reza 0 277 2018/04/06 00:07 by Reza Using adpack to include core-level Eike F. Schwier 2 371 2018/04/05 07:35 by Eike F. Schwier NPA calculation error Reza 1 383 2018/04/04 14:16 by Reza Patch 3.8.4 Reza 0 240 2018/04/03 02:32 by Reza QTAIM in OPENMX Reza 0 267 2018/04/03 00:35 by Reza Convergence and time-consuming issues of large-scale calculations xmzhang 2 255 2018/04/02 15:50 by xmzhang oxygen atom's optimized PAO similar to 6-31++G** of GTO codes Reza 6 328 2018/04/02 08:37 by T. Ozaki OPENMX support GPU furtrue 1 450 2018/03/28 12:55 by T. Ozaki Convergence and time-consuming issues of large-scale calculations xmzhang 2 319 2018/03/26 11:37 by xmzhang The memory size can be reduced by a hybrid parallel method furtrue 1 264 2018/03/23 21:41 by T. Ozaki Constrained optimization Hashmi 8 394 2018/03/23 11:36 by Hashmi Should the constrained spin direction and orbital moment direction be same ? Santu Baidya 1 238 2018/03/23 01:13 by T. Ozaki LCAO coefficients and overlaps from HS.scfout file are connected? P 2 255 2018/03/21 05:38 by P exchange coupling constants error ycwu 0 281 2018/03/13 16:18 by ycwu Problem in Geometry Optimization Reza 4 535 2018/03/12 21:25 by Reza error message(NEGF calculation) Yukinori Sakamoto 5 521 2018/03/05 13:43 by T. Ozaki Patch 3.8.4 to OpenMX Ver. 3.8 T. Ozaki 0 295 2018/03/05 13:33 by T. Ozaki NEGF calculations. Hashmi 5 353 2018/03/05 13:13 by T. Ozaki undefined reference to Riemann 1 327 2018/03/04 21:18 by T. Ozaki tunneling transport process Boshra 1 315 2018/03/04 21:11 by T. Ozaki Is exchange parameter calculated from band energy Uele ? Min Yi 1 430 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 4 549 2018/03/02 15:10 by T. Ozaki problem while cmpiling openmx3.8 with intel 2015 fang liwen 1 252 2018/03/02 15:06 by T. Ozaki a limit to the number of atoms fxj 1 228 2018/03/02 14:55 by T. Ozaki The total size of the input file xuanlv 1 230 2018/03/02 14:53 by T. Ozaki System.Name.conductance satoru tanibayashi 1 248 2018/03/02 14:40 by T. Ozaki Convergence problem in scf using Hubbard Mohammad 1 341 2018/02/23 18:45 by T. Ozaki Is it possible to control orbital occupancy? Pang 1 260 2018/02/23 18:37 by T. Ozaki Spin texture in OpenMX Samuel Dechamps 4 542 2018/01/24 23:22 by Samuel Dechamps Unable to do NEGF calculaton on the tutorials Prashant 2 467 2018/01/24 14:47 by Prashant How to get overlap matrix at each k-point Shogo Nakamura 2 551 2017/12/21 13:47 by S. Nakamura Work function calculations and the PAO cutoff radius Konstantin Khromov 7 466 2017/12/16 23:39 by Naoya Yamaguchi Student Amirhossein Bayani 5 441 2017/12/15 13:14 by Yung-Ting Lee A question about scf.Kgrid Mosahhar 1 364 2017/12/14 10:34 by Chi-Cheng Lee

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