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ERROR: Lapack routine in version 3.9.2Mauro Sgroi315532020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan010952020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps09052020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai29352020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te124022020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps09962020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh410602020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes010952020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank210372020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes29972020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes09372020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie211172020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan29712020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier435552020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1116062020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David111782020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin210182020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh818332020/06/18 04:09
by Maedeh
Constrained relaxationSergey213012020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin115922020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin19252020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic414892020/06/10 16:23
by T. Ozaki
installation error-make filedeniz834992020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa09242020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher610952020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.19852020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie214372020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh211432020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor310732020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang514622020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P49582020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu110972020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa010022020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma414462020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa311592020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS525552020/03/30 20:20
by VictorS
Euler AngleMahyar418672020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata212422020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq612452020/03/28 20:13
by Hikaru Sawahata
PMPI_Comm_size: Invalid communicator, error Garret Wong325952020/03/27 11:40
by Garret Wong
Surface polarizationN.V.Hoi19142020/03/24 09:34
by T. Ozaki
Japanese Manual of OpenMX Ver. 3.9T. Ozaki09062020/03/21 17:47
by T. Ozaki
Error installing patch 3.9.2 Samuel Dechamps210642020/03/20 02:02
by Samuel Dechamps
Spin symbolF18602020/03/12 13:52
by Naoya Yamaguchi
calculation time for a small systemYongsheng Zhang410932020/03/09 09:56
by T. Ozaki
constraining magnetic fieldYun-Peng Wang311272020/03/09 09:54
by T. Ozaki
ASE-OPENMX for NEB calculationReza212802020/03/08 08:51
by T. Ozaki
scissors correction in the optics calculationsJian Zhou210072020/03/05 00:16
by Jian Zhou
Noisy output for sden.cube fileMaedeh510152020/03/04 17:02
by Maedeh
installation error OpenMX ver 3.9Maedeh8574882020/02/26 13:12
by Naoya Yamaguchi

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