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

List of Threads

Topics Author Replies Views Last Modified
Clarification on ESMMauro Sgroi1015902020/10/08 17:52
by Mauro Sgroi
Polarization calculationSergey1120772020/10/08 02:46
by Naoya Yamaguchi
Error of test calculation and automatic running testHase Tsubasa152222020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi511452020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone211432020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan110072020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt211352020/09/29 18:52
by Zsolt
Large Una energy valuesMalone210262020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin310652020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka412092020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur111432020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes010852020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi317732020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan012182020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps010352020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai210612020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te130852020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps011342020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh412482020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes012192020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank211762020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes211202020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes010562020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie212702020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan210672020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier438872020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1118712020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David113112020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin211442020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh821052020/06/18 04:09
by Maedeh
Constrained relaxationSergey214642020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin117702020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin110522020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic416982020/06/10 16:23
by T. Ozaki
installation error-make filedeniz837812020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa010362020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher612402020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.111192020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie215742020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh213142020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor312112020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang516772020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P410932020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu112842020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa011202020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma416532020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa313262020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS528282020/03/30 20:20
by VictorS
Euler AngleMahyar420982020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata213982020/03/28 23:15
by T. Ozaki

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] [33]


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


- Web Patio -