OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
From AdministratorTaisuke Ozaki0282021/04/07 21:20
by Taisuke Ozaki
An error : "Num. of grids overlapping with atom" after mpirun openmx3.9Adam1142021/04/17 20:51
by Naoya Yamaguchi
installatin openmx3.9 errorAdam221332021/04/16 03:42
by Alex
input file for the restart calculationreza9352021/04/15 02:17
by Naoya Yamaguchi
Crys-MnO example from workSergey52642021/04/11 18:42
by Mehdi
about "Automatic running test with large-scale systems" (openmx3.9)Hiromi Hayashi0372021/03/30 17:34
by Hiromi Hayashi
Chern numberwlliu1502021/03/30 15:24
by Hikaru Sawahata
ScalingSamuel Dechamps0672021/03/08 20:25
by Samuel Dechamps
Compilation Error: openmx 3.9 Renato21332021/03/04 11:47
by Renato
installatin openmx3.9 with intel-fortran compilersmani102112021/03/02 23:07
by mehdi
convegence problems with corehole calculationsPavel Ondračka2712021/02/22 21:39
by Pavel Ondračka
Negative charge Nd ions within DFT+U calculationAleksey11812021/02/19 15:00
by Jhon W. Gonzalez
NEB: how to decide the MD.Opt.criterion valueBorong61152021/02/05 10:27
by Borong
Bug in OpenMXArtem Pulkin11602021/01/14 21:23
by Artem Pulkin
Spi-orbit couplingArtem Pulkin01472021/01/13 19:40
by Artem Pulkin
No rule to make target `Cluster_DFT.c', needed by `Cluster_DFT.o'. Stop.Riemann Dearakhshan11082020/12/31 18:56
by Naoya Yamaguchi
STM Simulation doesn't work when solver is ClusterKelvin11212020/12/28 02:42
by Naoya Yamaguchi
How to analyze Orbital magnetic MomentChen Yaqing01192020/12/27 20:58
by Chen Yaqing
determination of Exchange coupling parameterreza42512020/12/22 07:14
by reza
About euler angleLiu Jie01222020/12/16 22:28
by Liu Jie
How to relate the sequence for the orbital to atomic orbitalsRiemann Dearakhshan01182020/12/16 03:05
by Riemann Dearakhshan
In the ACE Model:What are the criteria for setting the start values?Zhenzhen Luo 11222020/12/14 19:39
by Naoya Yamaguchi
Label d-orbitals in PDOSLovleen Kaur31662020/12/14 14:19
by Lovleen Kaur
Filename.dden.cube fileRiemann Dearakhshan11282020/12/14 13:40
by Naoya Yamaguchi
Parameter about SymmetryLiu Jie01192020/12/14 11:45
by Liu Jie
scf.kgrid and scf.cutoffyeganeh nasr01282020/12/13 18:53
by yeganeh nasr
Computing Z2 invariant for 1D graphene nanoribbons (GNRs) by Z2FHYubin31512020/12/13 01:50
by Hikaru Sawahata
Question about the sum of PDOSLiu Jie21192020/12/12 18:31
by Liu Jie
Difference in the energy value of single Al atom calculated by different method.Lovleen Kaur11122020/12/11 20:14
by Lovleen Kaur
Wrong calculation of chemical potential in some casesSeungjin Kang11542020/12/10 15:42
by Naoya Yamaguchi
OpenMX3.9 installation error -ubuntu 20.04 serverMangesh Diware21872020/12/02 11:28
by Mangesh Diware
Born effective charge reza21562020/11/26 03:15
by reza
Phononic spectraRiemann Dearakhshan11622020/11/26 01:50
by Naoya Yamaguchi
Negative scaling factor of spin-orbit couplingHyeon-Jong Park01202020/11/20 19:28
by Hyeon-Jong Park
Is it possible to use hybrid functional HSE06 in OpenMX? Lovleen Kaur01442020/11/20 15:44
by Lovleen Kaur
memory consumption of jx processorRuiwen Xie11552020/11/20 04:30
by Ruiwen Xie
Spin direction in non-collinear DFT calculationHyeon-Jong Park01652020/11/19 11:05
by Hyeon-Jong Park
Z2FH Riemann Dearakhshan112202020/11/18 18:10
by Hikaru Sawahata
tensile and compressive strainsHOI21762020/11/13 14:36
by T. Ozaki
qustion over second variational methodLiu Jie41872020/11/13 13:45
by T. Ozaki
Meaning of FNAN[Gc_AN] hou41402020/11/13 09:19
by hou
SiC + buffer layer 2x2 unfolding errorMalone71662020/11/11 07:01
by Malone
Ionic contribution of sawtooth potential for electric fields to force on atomsNaoya Yamaguchi04092020/11/03 04:49
by Naoya Yamaguchi
Test issuesGilad Gani61482020/11/02 19:36
by Naoya Yamaguchi
determination of magnetic moment by charge analysisreza21552020/11/02 15:22
by reza
Atom out of cell during geometry optimizationHan11422020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation errorGilad Gani92622020/11/01 18:56
by Gilad Gani
BLACS WARNINGHusnan11422020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9reza21862020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputerRiemann Dearakhshan21902020/10/30 04:47
by Riemann Dearakhshan

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24]


Open Thread    Locked Thread    Alarm(More than 180 replies)   Message from Administrator


- Web Patio -