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Topics Author Replies Views Last Modified
How to plot Vhart in a given direction.Carlos211182018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin513312018/05/22 02:04
by Naoya Yamaguchi
Can it be calculated across a node? That is, cluster testing xuanlv08492018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky614012018/05/09 20:46
by lucky
phononic spectraRiemann010242018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky718672018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann19652018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann510222018/05/01 16:48
by Riemann
num.LUMORiemann69972018/05/01 16:43
by Riemann
TranMain and cluster calculationslz010272018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 08652018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza09882018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier523562018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil1016642018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza010782018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier212162018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza111852018/04/04 14:16
by Reza
Patch 3.8.4Reza09382018/04/03 02:32
by Reza
QTAIM in OPENMXReza010322018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang210612018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza611032018/04/02 08:37
by T. Ozaki
OPENMX support GPUfurtrue113382018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang211352018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue19802018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi812852018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya19712018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P210192018/03/21 05:38
by P
exchange coupling constants error ycwu09692018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza416512018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto514972018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki010122018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi514142018/03/05 13:13
by T. Ozaki
undefined reference to Riemann111022018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra19932018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi113262018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng413782018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen19652018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj19882018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv110322018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi19302018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad111192018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang19372018/02/23 18:37
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps416112018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 212992018/01/24 14:47
by Prashant
How to get overlap matrix at each k-pointShogo Nakamura221022017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov716442017/12/16 23:39
by Naoya Yamaguchi
StudentAmirhossein Bayani513092017/12/15 13:14
by Yung-Ting Lee
A question about scf.KgridMosahhar110602017/12/14 10:34
by Chi-Cheng Lee
Question regarding Wannier calculationsHashmi516102017/12/14 10:28
by Chi-Cheng Lee
Hubbard U calculationReza111222017/12/14 10:12
by Chi-Cheng Lee

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