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Topics Author Replies Views Last Modified
Crys-MnO example from workSergey58142021/04/11 18:42
by Mehdi
about "Automatic running test with large-scale systems" (openmx3.9)Hiromi Hayashi05382021/03/30 17:34
by Hiromi Hayashi
Compilation Error: openmx 3.9 Renato29542021/03/04 11:47
by Renato
installatin openmx3.9 with intel-fortran compilersmani1014132021/03/02 23:07
by mehdi
Negative charge Nd ions within DFT+U calculationAleksey18752021/02/19 15:00
by Jhon W. Gonzalez
NEB: how to decide the MD.Opt.criterion valueBorong67912021/02/05 10:27
by Borong
No rule to make target `Cluster_DFT.c', needed by `Cluster_DFT.o'. Stop.Riemann Dearakhshan16292020/12/31 18:56
by Naoya Yamaguchi
STM Simulation doesn't work when solver is ClusterKelvin16732020/12/28 02:42
by Naoya Yamaguchi
How to analyze Orbital magnetic MomentChen Yaqing06652020/12/27 20:58
by Chen Yaqing
determination of Exchange coupling parameterreza48522020/12/22 07:14
by reza
About euler angleLiu Jie06312020/12/16 22:28
by Liu Jie
How to relate the sequence for the orbital to atomic orbitalsRiemann Dearakhshan06302020/12/16 03:05
by Riemann Dearakhshan
In the ACE Model:What are the criteria for setting the start values?Zhenzhen Luo 17112020/12/14 19:39
by Naoya Yamaguchi
Label d-orbitals in PDOSLovleen Kaur38902020/12/14 14:19
by Lovleen Kaur
Filename.dden.cube fileRiemann Dearakhshan16912020/12/14 13:40
by Naoya Yamaguchi
Parameter about SymmetryLiu Jie06552020/12/14 11:45
by Liu Jie
scf.kgrid and scf.cutoffyeganeh nasr06782020/12/13 18:53
by yeganeh nasr
Question about the sum of PDOSLiu Jie27672020/12/12 18:31
by Liu Jie
Difference in the energy value of single Al atom calculated by different method.Lovleen Kaur16012020/12/11 20:14
by Lovleen Kaur
Wrong calculation of chemical potential in some casesSeungjin Kang18372020/12/10 15:42
by Naoya Yamaguchi
OpenMX3.9 installation error -ubuntu 20.04 serverMangesh Diware28932020/12/02 11:28
by Mangesh Diware
Born effective charge reza27052020/11/26 03:15
by reza
Phononic spectraRiemann Dearakhshan16962020/11/26 01:50
by Naoya Yamaguchi
Negative scaling factor of spin-orbit couplingHyeon-Jong Park06462020/11/20 19:28
by Hyeon-Jong Park
Is it possible to use hybrid functional HSE06 in OpenMX? Lovleen Kaur07522020/11/20 15:44
by Lovleen Kaur
memory consumption of jx processorRuiwen Xie16772020/11/20 04:30
by Ruiwen Xie
Spin direction in non-collinear DFT calculationHyeon-Jong Park07762020/11/19 11:05
by Hyeon-Jong Park
Z2FH Riemann Dearakhshan118502020/11/18 18:10
by Hikaru Sawahata
tensile and compressive strainsHOI26942020/11/13 14:36
by T. Ozaki
qustion over second variational methodLiu Jie47242020/11/13 13:45
by T. Ozaki
Meaning of FNAN[Gc_AN] hou47102020/11/13 09:19
by hou
SiC + buffer layer 2x2 unfolding errorMalone78122020/11/11 07:01
by Malone
Ionic contribution of sawtooth potential for electric fields to force on atomsNaoya Yamaguchi010022020/11/03 04:49
by Naoya Yamaguchi
Test issuesGilad Gani66712020/11/02 19:36
by Naoya Yamaguchi
determination of magnetic moment by charge analysisreza26662020/11/02 15:22
by reza
Atom out of cell during geometry optimizationHan16422020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation errorGilad Gani915952020/11/01 18:56
by Gilad Gani
BLACS WARNINGHusnan16742020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9reza27652020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputerRiemann Dearakhshan210492020/10/30 04:47
by Riemann Dearakhshan
Macroscopic polarization calculation by Berry's phaseHOI16092020/10/29 01:00
by Naoya Yamaguchi
Install OpenMX with GCC 10Naoya Yamaguchi111932020/10/27 14:02
by Naoya Yamaguchi
Structure of parallelization in OpenMXAsako Terasawa25802020/10/26 18:00
by Asako Terasawa
Geometry optimization convergence with O(N) methodsMauro Sgroi37602020/10/23 17:04
by Mauro Sgroi
About input files for periodic system under zero biasLei 07132020/10/22 19:51
by Lei
MD energy drift using DC-LNO methodKelvin68782020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquidMauro Sgroi26442020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculationreza48022020/10/21 20:26
by reza
optimization problem reza26792020/10/21 20:24
by reza
Melting temperatureArtem Pulkin16352020/10/21 17:01
by T. Ozaki

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