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

List of Threads

Topics Author Replies Views Last Modified
HOMO_LUMO keywords for periodic systems Lina Bechohra16602022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik19142022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 18062022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi17912022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov16412022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK19652022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK16452022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat28252022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li209532022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur36472022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li38692022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li2914782022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh28072022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran19982022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li26802022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland613792022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima713192022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato19992022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang210862022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat26612022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh16742022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li16892022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus28912022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li26462022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung05882022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar17632022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen48922022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2113372022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung37062022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung28462022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone37682022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa26922022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar08752022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov38302022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali16852022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu06642022/02/08 01:47
by greenishfu
band structurereza majidinia06662022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov18032022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro29702022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang49772022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka37502022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack78772022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani26822022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur07492022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn06942022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka46912022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose513202022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad48882022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin38612022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang58822022/01/08 02:12
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 -