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NEGF calculations not startingElie Moujaes03652020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi35552020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan04132020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps03772020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai24042020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te111412020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps04142020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh44682020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes04442020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank24712020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes24242020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes03932020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie24272020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan24192020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier416502020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin116742020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David15432020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin24232020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh87652020/06/18 04:09
by Maedeh
Constrained relaxationSergey25022020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin16692020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin13892020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic45712020/06/10 16:23
by T. Ozaki
installation error-make filedeniz813892020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa04282020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher65152020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.14042020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie26412020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh24602020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor34232020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang55842020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P44262020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu14862020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa04902020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma47042020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa34952020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS59952020/03/30 20:20
by VictorS
Euler AngleMahyar46152020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata25222020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq66682020/03/28 20:13
by Hikaru Sawahata
PMPI_Comm_size: Invalid communicator, error Garret Wong310552020/03/27 11:40
by Garret Wong
Surface polarizationN.V.Hoi14382020/03/24 09:34
by T. Ozaki
Japanese Manual of OpenMX Ver. 3.9T. Ozaki04112020/03/21 17:47
by T. Ozaki
Error installing patch 3.9.2 Samuel Dechamps24832020/03/20 02:02
by Samuel Dechamps
Spin symbolF13782020/03/12 13:52
by Naoya Yamaguchi
calculation time for a small systemYongsheng Zhang44942020/03/09 09:56
by T. Ozaki
constraining magnetic fieldYun-Peng Wang34872020/03/09 09:54
by T. Ozaki
ASE-OPENMX for NEB calculationReza25432020/03/08 08:51
by T. Ozaki
scissors correction in the optics calculationsJian Zhou24032020/03/05 00:16
by Jian Zhou
Noisy output for sden.cube fileMaedeh54522020/03/04 17:02
by Maedeh

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