OpenMX Forum
New Thread | Return Home | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
From AdministratorTaisuke Ozaki051672005/01/09 05:33
by Taisuke Ozaki
scf convergence problem in GaFeO3reza012018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier51932018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil103362018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza0312018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier21222018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza11392018/04/04 14:16
by Reza
Patch 3.8.4Reza0312018/04/03 02:32
by Reza
QTAIM in OPENMXReza0312018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang2412018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza6842018/04/02 08:37
by T. Ozaki
OPENMX support GPUfurtrue1632018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang2802018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue1412018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi8832018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya1482018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P2442018/03/21 05:38
by P
exchange coupling constants error ycwu0542018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza42562018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto52262018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki0872018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi5952018/03/05 13:13
by T. Ozaki
undefined reference to Riemann11132018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra11162018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi11922018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng42722018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen1622018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj1602018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv1642018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi1852018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad11082018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang1832018/02/23 18:37
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps41512018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 21152018/01/24 14:47
by Prashant
How to get overlap matrix at each k-pointShogo Nakamura22912017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov71612017/12/16 23:39
by Naoya Yamaguchi
StudentAmirhossein Bayani51862017/12/15 13:14
by Yung-Ting Lee
A question about scf.KgridMosahhar11722017/12/14 10:34
by Chi-Cheng Lee
Question regarding Wannier calculationsHashmi51942017/12/14 10:28
by Chi-Cheng Lee
Hubbard U calculationReza11652017/12/14 10:12
by Chi-Cheng Lee
Spin direction in Wannier functionMHirayama11462017/12/04 15:18
by MHirayama
Can the heat transfer rate of the model be calculated by the molecular dynamics calibrated by speedfxj0852017/12/01 16:12
by fxj
MD.Init.Velocityfengxiaojng0862017/11/29 16:26
by fengxiaojng
Convergence criterion for NCDFT-SOCEvgenia Kovaleva11222017/11/26 02:55
by Naoya Yamaguchi
K-vector unit in band structure plotMosahhar21172017/11/23 16:02
by Mosahhar
Gaussian cube files and periodicitylzotti21372017/11/20 23:23
by lzotti
Z2 invariant/Chern numberPeter11682017/11/16 16:46
by Hikaru Sawahata
spin index for Kohn-Sham HamiltonianChen11862017/10/26 20:16
by Daniil
error message()Yukinori Sakamoto11652017/10/12 16:53
by Yukinori Sakamoto
clustersdeniz12442017/09/30 11:59
by T. Ozaki

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


Open Thread    Locked Thread    Alarm(More than 90 replies)   Message from Administrator


- Web Patio -