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

List of Threads

Topics Author Replies Views Last Modified
Install OpenMX with GCC 10Naoya Yamaguchi116822020/10/27 14:02
by Naoya Yamaguchi
Structure of parallelization in OpenMXAsako Terasawa27222020/10/26 18:00
by Asako Terasawa
Geometry optimization convergence with O(N) methodsMauro Sgroi39552020/10/23 17:04
by Mauro Sgroi
About input files for periodic system under zero biasLei 09672020/10/22 19:51
by Lei
MD energy drift using DC-LNO methodKelvin610492020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquidMauro Sgroi28242020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculationreza410312020/10/21 20:26
by reza
optimization problem reza28662020/10/21 20:24
by reza
Melting temperatureArtem Pulkin18282020/10/21 17:01
by T. Ozaki
About Zeeman termsLiu Jie17942020/10/21 16:42
by T. Ozaki
Can we obtain the orbital decomposition of exchange coupling parameterYi Ding28182020/10/21 16:36
by T. Ozaki
Spin orbit coupling Hamiltonian of isolated atomsChong Wang811932020/10/21 01:01
by T. Ozaki
Segmentation fault with version 3.9.2Mauro Sgroi212772020/10/14 16:45
by Mauro Sgroi
Unfolding cannot assign atoms in supercell-slab calculationsEike F. Schwier2015982020/10/12 17:26
by Naoya Yamaguchi
Error when Installing OpenMX 3.9 Han316822020/10/10 02:28
by Naoya Yamaguchi
Clarification on ESMMauro Sgroi1012702020/10/08 17:52
by Mauro Sgroi
Polarization calculationSergey1115012020/10/08 02:46
by Naoya Yamaguchi
Error of test calculation and automatic running testHase Tsubasa140382020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi58862020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone28652020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan17862020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt28492020/09/29 18:52
by Zsolt
Large Una energy valuesMalone27702020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin38052020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka49002020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur18632020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes08292020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi313612020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan08612020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps07602020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai28062020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te121832020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps08552020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh49182020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes09472020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank28892020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes28542020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes07982020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie29692020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan28352020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier432442020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1114082020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David110292020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin28712020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh816002020/06/18 04:09
by Maedeh
Constrained relaxationSergey211232020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin114192020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin17992020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic412872020/06/10 16:23
by T. Ozaki
installation error-make filedeniz832022020/06/04 22:32
by Deniz

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] [25] [26] [27] [28] [29] [30] [31] [32]


Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator


- Web Patio -