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From AdministratorTaisuke Ozaki061182005/01/09 05:33
by Taisuke Ozaki
Bug in OpenMXArtem Pulkin1242021/01/14 21:23
by Artem Pulkin
Spi-orbit couplingArtem Pulkin0282021/01/13 19:40
by Artem Pulkin
Negative charge Nd ions within DFT+U calculationAleksey0132021/01/13 08:22
by Aleksey
No rule to make target `Cluster_DFT.c', needed by `Cluster_DFT.o'. Stop.Riemann Dearakhshan1342020/12/31 18:56
by Naoya Yamaguchi
STM Simulation doesn't work when solver is ClusterKelvin1462020/12/28 02:42
by Naoya Yamaguchi
How to analyze Orbital magnetic MomentChen Yaqing0412020/12/27 20:58
by Chen Yaqing
determination of Exchange coupling parameterreza41372020/12/22 07:14
by reza
About euler angleLiu Jie0492020/12/16 22:28
by Liu Jie
How to relate the sequence for the orbital to atomic orbitalsRiemann Dearakhshan0502020/12/16 03:05
by Riemann Dearakhshan
In the ACE Model:What are the criteria for setting the start values?Zhenzhen Luo 1432020/12/14 19:39
by Naoya Yamaguchi
Label d-orbitals in PDOSLovleen Kaur3682020/12/14 14:19
by Lovleen Kaur
Filename.dden.cube fileRiemann Dearakhshan1542020/12/14 13:40
by Naoya Yamaguchi
Parameter about SymmetryLiu Jie0502020/12/14 11:45
by Liu Jie
scf.kgrid and scf.cutoffyeganeh nasr0502020/12/13 18:53
by yeganeh nasr
Computing Z2 invariant for 1D graphene nanoribbons (GNRs) by Z2FHYubin3642020/12/13 01:50
by Hikaru Sawahata
Question about the sum of PDOSLiu Jie2522020/12/12 18:31
by Liu Jie
Difference in the energy value of single Al atom calculated by different method.Lovleen Kaur1462020/12/11 20:14
by Lovleen Kaur
Wrong calculation of chemical potential in some casesSeungjin Kang1662020/12/10 15:42
by Naoya Yamaguchi
OpenMX3.9 installation error -ubuntu 20.04 serverMangesh Diware2862020/12/02 11:28
by Mangesh Diware
installation error openmx 3.9Altan134872020/11/30 19:58
by long bandage dress
Born effective charge reza2782020/11/26 03:15
by reza
Phononic spectraRiemann Dearakhshan1782020/11/26 01:50
by Naoya Yamaguchi
Negative scaling factor of spin-orbit couplingHyeon-Jong Park0532020/11/20 19:28
by Hyeon-Jong Park
Is it possible to use hybrid functional HSE06 in OpenMX? Lovleen Kaur0662020/11/20 15:44
by Lovleen Kaur
memory consumption of jx processorRuiwen Xie1702020/11/20 04:30
by Ruiwen Xie
Spin direction in non-collinear DFT calculationHyeon-Jong Park0842020/11/19 11:05
by Hyeon-Jong Park
Z2FH Riemann Dearakhshan111382020/11/18 18:10
by Hikaru Sawahata
tensile and compressive strainsHOI2832020/11/13 14:36
by T. Ozaki
qustion over second variational methodLiu Jie41202020/11/13 13:45
by T. Ozaki
Meaning of FNAN[Gc_AN] hou4822020/11/13 09:19
by hou
SiC + buffer layer 2x2 unfolding errorMalone71022020/11/11 07:01
by Malone
Ionic contribution of sawtooth potential for electric fields to force on atomsNaoya Yamaguchi02262020/11/03 04:49
by Naoya Yamaguchi
Test issuesGilad Gani6812020/11/02 19:36
by Naoya Yamaguchi
determination of magnetic moment by charge analysisreza2832020/11/02 15:22
by reza
Atom out of cell during geometry optimizationHan1872020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation errorGilad Gani91382020/11/01 18:56
by Gilad Gani
BLACS WARNINGHusnan1722020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9reza21122020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputerRiemann Dearakhshan21012020/10/30 04:47
by Riemann Dearakhshan
Macroscopic polarization calculation by Berry's phaseHOI1842020/10/29 01:00
by Naoya Yamaguchi
Install OpenMX with GCC 10Naoya Yamaguchi11192020/10/27 14:02
by Naoya Yamaguchi
Mass of Heat Bath for Nose-Hoover thermostatMauro Sgroi0762020/10/26 19:31
by Mauro Sgroi
Structure of parallelization in OpenMXAsako Terasawa2752020/10/26 18:00
by Asako Terasawa
Geometry optimization convergence with O(N) methodsMauro Sgroi31102020/10/23 17:04
by Mauro Sgroi
About input files for periodic system under zero biasLei 0832020/10/22 19:51
by Lei
MD energy drift using DC-LNO methodKelvin62802020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquidMauro Sgroi21132020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculationreza41392020/10/21 20:26
by reza
optimization problem reza2932020/10/21 20:24
by reza

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