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

List of Threads

Topics Author Replies Views Last Modified
Evaluation of Kerker factor.Takuma Takeda18012022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh57312022/06/20 17:01
by T. Ozaki
NEGF setupGurung17802022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra18732022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra17052022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik110032022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 18542022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi18312022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov17012022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK110232022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK17002022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat28872022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li2010412022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur36942022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li39192022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li2952022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh28672022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran110612022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li27322022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland615402022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima713972022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato110792022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang211502022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat27022022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh17102022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li17352022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus29402022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li26862022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung06282022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar18192022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen49492022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2114302022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung37692022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung28942022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone38212022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa27582022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar09342022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov38812022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali17252022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu06992022/02/08 01:47
by greenishfu
band structurereza majidinia07032022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov18512022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro210252022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang410362022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka38072022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack79242022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani27272022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur07992022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn07372022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka47492022/01/14 18:51
by Naoya Yamaguchi

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] [30] [31] [32]


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


- Web Patio -