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Topics Author Replies Views Last Modified
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh210022018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank39882018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma18632018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang410472018/06/27 06:24
by jiang
error in make allsara.shafaei117692018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu110152018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel912242018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang11402018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki08612018/06/12 10:05
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack29702018/06/05 09:18
by Jack
Work Function of grapheneRenato29592018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos29352018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin511632018/05/22 02:04
by Naoya Yamaguchi
Can it be calculated across a node? That is, cluster testing xuanlv07112018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky612212018/05/09 20:46
by lucky
phononic spectraRiemann08822018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky716052018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann18072018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann58912018/05/01 16:48
by Riemann
num.LUMORiemann68672018/05/01 16:43
by Riemann
TranMain and cluster calculationslz08982018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 07342018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza08282018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier521252018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil1014442018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza09142018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier210252018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza110472018/04/04 14:16
by Reza
Patch 3.8.4Reza07722018/04/03 02:32
by Reza
QTAIM in OPENMXReza09012018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang28352018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza69442018/04/02 08:37
by T. Ozaki
OPENMX support GPUfurtrue111822018/03/28 12:55
by T. Ozaki
Convergence and time-consuming issues of large-scale calculations xmzhang29852018/03/26 11:37
by xmzhang
The memory size can be reduced by a hybrid parallel methodfurtrue18422018/03/23 21:41
by T. Ozaki
Constrained optimizationHashmi811102018/03/23 11:36
by Hashmi
Should the constrained spin direction and orbital moment direction be same ?Santu Baidya18352018/03/23 01:13
by T. Ozaki
LCAO coefficients and overlaps from HS.scfout file are connected?P28782018/03/21 05:38
by P
exchange coupling constants error ycwu08442018/03/13 16:18
by ycwu
Problem in Geometry OptimizationReza414722018/03/12 21:25
by Reza
error message(NEGF calculation)Yukinori Sakamoto512922018/03/05 13:43
by T. Ozaki
Patch 3.8.4 to OpenMX Ver. 3.8T. Ozaki08722018/03/05 13:33
by T. Ozaki
NEGF calculations.Hashmi512212018/03/05 13:13
by T. Ozaki
undefined reference to Riemann19582018/03/04 21:18
by T. Ozaki
tunneling transport processBoshra18652018/03/04 21:11
by T. Ozaki
Is exchange parameter calculated from band energy Uele ?Min Yi111462018/03/04 08:13
by T. Ozaki
Where does the discontinuity of the applied electric sawtooth potential occur in the super cell?Xiangyang Peng412372018/03/02 15:10
by T. Ozaki
problem while cmpiling openmx3.8 with intel 2015 fang liwen18412018/03/02 15:06
by T. Ozaki
a limit to the number of atomsfxj18332018/03/02 14:55
by T. Ozaki
The total size of the input file xuanlv18892018/03/02 14:53
by T. Ozaki

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