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NEGF calculations not startingElie Moujaes0722020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi31072020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan01172020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps0862020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai21052020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te11682020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps01042020/08/12 02:33
by Samuel Dechamps
Zeeman term in the OpenMx3.9 have problemUmar farooq52992020/08/08 00:57
by eco friendly sponges
"scf.restart" before finishing the first calculationMaedeh41272020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes01322020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank21622020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes21232020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes01232020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie21402020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan21372020/07/20 08:08
by T. Ozaki
Crys-MnO example from workSergey41642020/07/11 09:22
by Sergey
MPI problem during compilingEike F. Schwier44192020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin112422020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David11772020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin21432020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh82362020/06/18 04:09
by Maedeh
Constrained relaxationSergey21942020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin11992020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin11532020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic42562020/06/10 16:23
by T. Ozaki
installation error-make filedeniz82982020/06/04 22:32
by Deniz
installation error openmx 3.9Altan133822020/11/30 19:58
by long bandage dress
About building OpenMX on ubuntuhiroaki tanzawa01672020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher62212020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.11592020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie22112020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh21862020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor31722020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang52152020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P41672020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu11902020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa02302020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma43612020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa31882020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS52672020/03/30 20:20
by VictorS
Euler AngleMahyar42262020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata21892020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq63622020/03/28 20:13
by Hikaru Sawahata
PMPI_Comm_size: Invalid communicator, error Garret Wong33382020/03/27 11:40
by Garret Wong
Surface polarizationN.V.Hoi11922020/03/24 09:34
by T. Ozaki
Japanese Manual of OpenMX Ver. 3.9T. Ozaki01842020/03/21 17:47
by T. Ozaki
Error installing patch 3.9.2 Samuel Dechamps22012020/03/20 02:02
by Samuel Dechamps
Spin symbolF11782020/03/12 13:52
by Naoya Yamaguchi
calculation time for a small systemYongsheng Zhang42072020/03/09 09:56
by T. Ozaki
constraining magnetic fieldYun-Peng Wang32122020/03/09 09:54
by T. Ozaki

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