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Topics Author Replies Views Last Modified
Outputting core electron density?Kelvin29752020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh817502020/06/18 04:09
by Maedeh
Constrained relaxationSergey212442020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin115392020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin18902020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic414232020/06/10 16:23
by T. Ozaki
installation error-make filedeniz833682020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa08892020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher610412020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.19412020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie213852020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh210772020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor310052020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang513792020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P49202020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu110422020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa09672020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma413652020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa311112020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS524582020/03/30 20:20
by VictorS
Euler AngleMahyar417702020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata212012020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq612032020/03/28 20:13
by Hikaru Sawahata
PMPI_Comm_size: Invalid communicator, error Garret Wong325382020/03/27 11:40
by Garret Wong
Surface polarizationN.V.Hoi18852020/03/24 09:34
by T. Ozaki
Japanese Manual of OpenMX Ver. 3.9T. Ozaki08742020/03/21 17:47
by T. Ozaki
Error installing patch 3.9.2 Samuel Dechamps210322020/03/20 02:02
by Samuel Dechamps
Spin symbolF18302020/03/12 13:52
by Naoya Yamaguchi
calculation time for a small systemYongsheng Zhang410522020/03/09 09:56
by T. Ozaki
constraining magnetic fieldYun-Peng Wang310862020/03/09 09:54
by T. Ozaki
ASE-OPENMX for NEB calculationReza212092020/03/08 08:51
by T. Ozaki
scissors correction in the optics calculationsJian Zhou29452020/03/05 00:16
by Jian Zhou
Noisy output for sden.cube fileMaedeh59742020/03/04 17:02
by Maedeh
installation error OpenMX ver 3.9Maedeh8573242020/02/26 13:12
by Naoya Yamaguchi
How to read *.scfout file?Zafer Kandemir214842020/02/22 18:27
by Zafer Kandemir
Difference in the total charge density from ESM on4Alia Mejri19352020/02/22 00:01
by T. Ozaki
Fermi level is not set to zero noopur216142020/02/19 20:23
by T. Ozaki
Zeeman term in the OpenMx3.9 have problemUmar farooq410842020/02/12 19:33
by Umar farooq
Patch 3.9.2 to OpenMX Ver. 3.9T. Ozaki09722020/02/11 22:44
by T. Ozaki
NEGF convergence making loopVikash210332020/02/07 01:02
by T. Ozaki
Mailing list for the OpenMX ForumT. Ozaki09122020/02/06 23:09
by T. Ozaki
NEB simulationYuki Kamikawa29462020/01/30 21:00
by Yuki Kamikawa
NEB memory and parallel problemsReza610832020/01/29 00:41
by T. Ozaki
DosMain issue in metal-graphene heterostructures Samuel Dechamps19822020/01/25 13:51
by T. Ozaki
cygwin_exception::open_stackdumpfile: Dumping stackmasood295842020/01/22 02:05
by masood
core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 212302020/01/20 16:07
by Asako Terasawa
LzSz only spin-orbit coupling in collinear spin calculation?Asako Terasawa713162020/01/19 22:41
by Alireza Baradaran
Error in compiling openmx3.9Xiaoxiong227212020/01/18 16:31
by Xiaoxiong
Cannot finish the NEGF testrunK. Yamaguchi413902020/01/18 12:34
by T. Ozaki
error installation in openmx3.9Alireza Baradaran19602020/01/18 00:30
by Alireza Baradaran

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