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Topics Author Replies Views Last Modified
Segmentation fault with version 3.9.2Mauro Sgroi216882020/10/14 16:45
by Mauro Sgroi
Unfolding cannot assign atoms in supercell-slab calculationsEike F. Schwier2021522020/10/12 17:26
by Naoya Yamaguchi
Error when Installing OpenMX 3.9 Han321412020/10/10 02:28
by Naoya Yamaguchi
Clarification on ESMMauro Sgroi1016402020/10/08 17:52
by Mauro Sgroi
Polarization calculationSergey1121692020/10/08 02:46
by Naoya Yamaguchi
Error of test calculation and automatic running testHase Tsubasa154392020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi511802020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone211932020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan110432020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt211872020/09/29 18:52
by Zsolt
Large Una energy valuesMalone210592020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin311032020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka412612020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur111712020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes011212020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi318422020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan012622020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps010762020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai211122020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te131632020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps011692020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh413102020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes012592020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank212262020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes211572020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes010922020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie213112020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan211012020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier440052020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1120442020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David113472020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin211742020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh821772020/06/18 04:09
by Maedeh
Constrained relaxationSergey215212020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin118272020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin110862020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic417572020/06/10 16:23
by T. Ozaki
installation error-make filedeniz839802020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa010682020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher612772020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.111542020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie216092020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh213592020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor312822020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang517332020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P411272020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu113242020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa011602020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma417002020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa313772020/04/02 03:14
by Luca Sementa

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