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Topics Author Replies Views Last Modified
Polarization calculationSergey1120632020/10/08 02:46
by Naoya Yamaguchi
Error of test calculation and automatic running testHase Tsubasa151842020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi511372020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone211352020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan110012020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt211292020/09/29 18:52
by Zsolt
Large Una energy valuesMalone210222020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin310592020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka411972020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur111372020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes010792020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi317602020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan012132020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps010312020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai210572020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te130712020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps011282020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh412342020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes012142020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank211692020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes211142020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes010502020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie212632020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan210622020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier438672020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1118472020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David113062020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin211402020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh820882020/06/18 04:09
by Maedeh
Constrained relaxationSergey214542020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin117632020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin110492020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic416902020/06/10 16:23
by T. Ozaki
installation error-make filedeniz837672020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa010322020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher612332020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.111152020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie215632020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh213042020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor312032020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang516662020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P410872020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu112782020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa011142020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma416432020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa313182020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS528172020/03/30 20:20
by VictorS
Euler AngleMahyar420892020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata213882020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq614102020/03/28 20:13
by Hikaru Sawahata

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