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OpenMX in ubuntu 20.04Te118632020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps07212020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh47692020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes08022020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank27582020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes27212020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes06812020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie28082020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan27112020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier427052020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1111492020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David18882020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin27272020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh813662020/06/18 04:09
by Maedeh
Constrained relaxationSergey29342020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin111822020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin16822020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic410552020/06/10 16:23
by T. Ozaki
installation error-make filedeniz826332020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa06932020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher67982020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.16842020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie210712020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh28212020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor37602020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang510232020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P47052020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu17922020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa07652020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma410312020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa38332020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS518752020/03/30 20:20
by VictorS
Euler AngleMahyar412732020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata29092020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq69632020/03/28 20:13
by Hikaru Sawahata
PMPI_Comm_size: Invalid communicator, error Garret Wong320362020/03/27 11:40
by Garret Wong
Surface polarizationN.V.Hoi16812020/03/24 09:34
by T. Ozaki
Japanese Manual of OpenMX Ver. 3.9T. Ozaki06732020/03/21 17:47
by T. Ozaki
Error installing patch 3.9.2 Samuel Dechamps28282020/03/20 02:02
by Samuel Dechamps
Spin symbolF16292020/03/12 13:52
by Naoya Yamaguchi
calculation time for a small systemYongsheng Zhang48082020/03/09 09:56
by T. Ozaki
constraining magnetic fieldYun-Peng Wang38202020/03/09 09:54
by T. Ozaki
ASE-OPENMX for NEB calculationReza28932020/03/08 08:51
by T. Ozaki
scissors correction in the optics calculationsJian Zhou26892020/03/05 00:16
by Jian Zhou
Noisy output for sden.cube fileMaedeh57412020/03/04 17:02
by Maedeh
installation error OpenMX ver 3.9Maedeh8562932020/02/26 13:12
by Naoya Yamaguchi
How to read *.scfout file?Zafer Kandemir210422020/02/22 18:27
by Zafer Kandemir
Difference in the total charge density from ESM on4Alia Mejri16972020/02/22 00:01
by T. Ozaki
Fermi level is not set to zero noopur211712020/02/19 20:23
by T. Ozaki
Zeeman term in the OpenMx3.9 have problemUmar farooq48762020/02/12 19:33
by Umar farooq

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