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Topics Author Replies Views Last Modified
converged structuresElie Moujaes27872020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes07442020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie28892020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan27672020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier429762020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1112872020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David19582020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin28022020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh814722020/06/18 04:09
by Maedeh
Constrained relaxationSergey210232020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin112932020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin17382020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic411862020/06/10 16:23
by T. Ozaki
installation error-make filedeniz829412020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa07462020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher68712020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.17452020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie211692020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh29092020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor38212020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang511412020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P47612020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu18642020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa08232020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma411132020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa39152020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS521012020/03/30 20:20
by VictorS
Euler AngleMahyar414432020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata210032020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq610292020/03/28 20:13
by Hikaru Sawahata
PMPI_Comm_size: Invalid communicator, error Garret Wong322422020/03/27 11:40
by Garret Wong
Surface polarizationN.V.Hoi17322020/03/24 09:34
by T. Ozaki
Japanese Manual of OpenMX Ver. 3.9T. Ozaki07262020/03/21 17:47
by T. Ozaki
Error installing patch 3.9.2 Samuel Dechamps28842020/03/20 02:02
by Samuel Dechamps
Spin symbolF16832020/03/12 13:52
by Naoya Yamaguchi
calculation time for a small systemYongsheng Zhang48822020/03/09 09:56
by T. Ozaki
constraining magnetic fieldYun-Peng Wang38922020/03/09 09:54
by T. Ozaki
ASE-OPENMX for NEB calculationReza29962020/03/08 08:51
by T. Ozaki
scissors correction in the optics calculationsJian Zhou27582020/03/05 00:16
by Jian Zhou
Noisy output for sden.cube fileMaedeh58102020/03/04 17:02
by Maedeh
installation error OpenMX ver 3.9Maedeh8567492020/02/26 13:12
by Naoya Yamaguchi
How to read *.scfout file?Zafer Kandemir212212020/02/22 18:27
by Zafer Kandemir
Difference in the total charge density from ESM on4Alia Mejri17562020/02/22 00:01
by T. Ozaki
Fermi level is not set to zero noopur213282020/02/19 20:23
by T. Ozaki
Zeeman term in the OpenMx3.9 have problemUmar farooq49342020/02/12 19:33
by Umar farooq
Patch 3.9.2 to OpenMX Ver. 3.9T. Ozaki08242020/02/11 22:44
by T. Ozaki
NEGF convergence making loopVikash28682020/02/07 01:02
by T. Ozaki
Mailing list for the OpenMX ForumT. Ozaki07662020/02/06 23:09
by T. Ozaki
NEB simulationYuki Kamikawa28032020/01/30 21:00
by Yuki Kamikawa
NEB memory and parallel problemsReza68992020/01/29 00:41
by T. Ozaki

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