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How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang119982018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki012212018/06/12 10:05
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack214342018/06/05 09:18
by Jack
Work Function of grapheneRenato214332018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos213602018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin516242018/05/22 02:04
by Naoya Yamaguchi
Can it be calculated across a node? That is, cluster testing xuanlv010682018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky617072018/05/09 20:46
by lucky
phononic spectraRiemann012382018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky722322018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann112252018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann512612018/05/01 16:48
by Riemann
num.LUMORiemann612162018/05/01 16:43
by Riemann
TranMain and cluster calculationslz012612018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 010852018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza011982018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier527082018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil1019972018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza013172018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier215162018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza114272018/04/04 14:16
by Reza
Patch 3.8.4Reza011502018/04/03 02:32
by Reza
QTAIM in OPENMXReza012712018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang212952018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza614052018/04/02 08:37
by T. Ozaki
OPENMX support GPUfurtrue116162018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang213812018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue112142018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi815292018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya112162018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P212622018/03/21 05:38
by P
exchange coupling constants error ycwu011802018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza419372018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto518142018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki012342018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi517602018/03/05 13:13
by T. Ozaki
undefined reference to Riemann113542018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra111952018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi115802018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng416392018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen111862018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj112552018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv112762018/03/02 14:53
by T. Ozaki
System.Name.conductancesatoru tanibayashi111522018/03/02 14:40
by T. Ozaki
Convergence problem in scf using HubbardMohammad113792018/02/23 18:45
by T. Ozaki
Is it possible to control orbital occupancy?Pang111602018/02/23 18:37
by T. Ozaki
Spin texture in OpenMXSamuel Dechamps419062018/01/24 23:22
by Samuel Dechamps
Unable to do NEGF calculaton on the tutorialsPrashant 215622018/01/24 14:47
by Prashant
How to get overlap matrix at each k-pointShogo Nakamura225012017/12/21 13:47
by S. Nakamura
Work function calculations and the PAO cutoff radiusKonstantin Khromov719392017/12/16 23:39
by Naoya Yamaguchi

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