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

List of Threads

Topics Author Replies Views Last Modified
Hubbard UMehdi Vejdanihemmat25752022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li206422022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur34472022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li35742022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li299522022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh25272022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran16792022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li24552022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland68712022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima79462022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato16872022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang27682022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat24692022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh15042022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li14692022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus26272022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li24362022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung04152022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar15462022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen46582022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran219612022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung34812022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung25992022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone35232022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa24602022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar06352022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov35842022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali14812022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu04622022/02/08 01:47
by greenishfu
band structurereza majidinia04712022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov15402022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro27232022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang46722022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka35052022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack75822022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani24832022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur05342022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn04792022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka44582022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose510662022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad45592022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin35972022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang56132022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara14792021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh35662021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao14312021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli15112021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani88082021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki04712021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato14592021/12/15 19:07
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]


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


- Web Patio -