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Topics Author Replies Views Last Modified
num.LUMORiemann61742018/05/01 16:43
by Riemann
Hardware configuration requirements for the serverxuanlv 01442018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza01822018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier54792018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil105802018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza02032018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier23082018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza13112018/04/04 14:16
by Reza
Patch 3.8.4Reza01872018/04/03 02:32
by Reza
QTAIM in OPENMXReza02102018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang21902018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza62502018/04/02 08:37
by T. Ozaki
OPENMX support GPUfurtrue13762018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang22412018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue12022018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi83052018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya11842018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P21962018/03/21 05:38
by P
exchange coupling constants error ycwu02182018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza44612018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto54372018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki02392018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi52742018/03/05 13:13
by T. Ozaki
undefined reference to Riemann12632018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra12622018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi13492018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng44632018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen11902018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj11742018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv11742018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi12012018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad12612018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang12002018/02/23 18:37
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps43882018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 32962018/12/15 03:03
by adidas fille chaussure
How to get overlap matrix at each k-pointShogo Nakamura24762017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov73782017/12/16 23:39
by Naoya Yamaguchi
StudentAmirhossein Bayani53612017/12/15 13:14
by Yung-Ting Lee
A question about scf.KgridMosahhar13022017/12/14 10:34
by Chi-Cheng Lee
Question regarding Wannier calculationsHashmi53772017/12/14 10:28
by Chi-Cheng Lee
Hubbard U calculationReza13132017/12/14 10:12
by Chi-Cheng Lee
Spin direction in Wannier functionMHirayama12812017/12/04 15:18
by MHirayama
Can the heat transfer rate of the model be calculated by the molecular dynamics calibrated by speedfxj02112017/12/01 16:12
by fxj
MD.Init.Velocityfengxiaojng01832017/11/29 16:26
by fengxiaojng
Convergence criterion for NCDFT-SOCEvgenia Kovaleva12492017/11/26 02:55
by Naoya Yamaguchi
K-vector unit in band structure plotMosahhar22102017/11/23 16:02
by Mosahhar
Gaussian cube files and periodicitylzotti22592017/11/20 23:23
by lzotti
Z2 invariant/Chern numberPeter13772017/11/16 16:46
by Hikaru Sawahata
spin index for Kohn-Sham HamiltonianChen12912017/10/26 20:16
by Daniil
error message()Yukinori Sakamoto12922017/10/12 16:53
by Yukinori Sakamoto

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