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

List of Threads

Topics Author Replies Views Last Modified
Different atomic force from same atomic configuration positionYuanhan26202020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier424102020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin119902020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David17922020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin26272020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh812002020/06/18 04:09
by Maedeh
Constrained relaxationSergey28102020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin110462020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin15932020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic48842020/06/10 16:23
by T. Ozaki
installation error-make filedeniz822312020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa06152020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher67212020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.15982020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie29522020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh26862020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor36462020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang59052020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P46262020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu16952020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa06902020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma49182020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa37302020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS515952020/03/30 20:20
by VictorS
Euler AngleMahyar410322020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata27952020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq68712020/03/28 20:13
by Hikaru Sawahata
PMPI_Comm_size: Invalid communicator, error Garret Wong317302020/03/27 11:40
by Garret Wong
Surface polarizationN.V.Hoi16052020/03/24 09:34
by T. Ozaki
Japanese Manual of OpenMX Ver. 3.9T. Ozaki05922020/03/21 17:47
by T. Ozaki
Error installing patch 3.9.2 Samuel Dechamps27372020/03/20 02:02
by Samuel Dechamps
Spin symbolF15452020/03/12 13:52
by Naoya Yamaguchi
calculation time for a small systemYongsheng Zhang47042020/03/09 09:56
by T. Ozaki
constraining magnetic fieldYun-Peng Wang37252020/03/09 09:54
by T. Ozaki
ASE-OPENMX for NEB calculationReza27732020/03/08 08:51
by T. Ozaki
scissors correction in the optics calculationsJian Zhou25962020/03/05 00:16
by Jian Zhou
Noisy output for sden.cube fileMaedeh56432020/03/04 17:02
by Maedeh
installation error OpenMX ver 3.9Maedeh8558582020/02/26 13:12
by Naoya Yamaguchi
How to read *.scfout file?Zafer Kandemir28442020/02/22 18:27
by Zafer Kandemir
Difference in the total charge density from ESM on4Alia Mejri16032020/02/22 00:01
by T. Ozaki
Fermi level is not set to zero noopur29962020/02/19 20:23
by T. Ozaki
Zeeman term in the OpenMx3.9 have problemUmar farooq47862020/02/12 19:33
by Umar farooq
Patch 3.9.2 to OpenMX Ver. 3.9T. Ozaki06742020/02/11 22:44
by T. Ozaki
NEGF convergence making loopVikash26932020/02/07 01:02
by T. Ozaki
Mailing list for the OpenMX ForumT. Ozaki06252020/02/06 23:09
by T. Ozaki
NEB simulationYuki Kamikawa26532020/01/30 21:00
by Yuki Kamikawa
NEB memory and parallel problemsReza67142020/01/29 00:41
by T. Ozaki
DosMain issue in metal-graphene heterostructures Samuel Dechamps16402020/01/25 13:51
by T. Ozaki
cygwin_exception::open_stackdumpfile: Dumping stackmasood275132020/01/22 02:05
by masood
core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 28372020/01/20 16:07
by Asako Terasawa

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]

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

- Web Patio -