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

List of Threads

Topics Author Replies Views Last Modified
Questions about Definitioin.of.Atomic.SpeciesJunyoung23202022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou12932022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda46972022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran169762022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda13992022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh53962022/06/20 17:01
by T. Ozaki
NEGF setupGurung14722022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra15312022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra14202022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik15532022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 14722022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi14712022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov13762022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK15762022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK13692022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat25012022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li205692022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur33942022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li35162022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li298212022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh24552022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran15052022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li24042022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland67232022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima78412022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato15782022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang26662022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat24162022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh14532022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li14132022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus25552022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li23832022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung03632022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar14762022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen45942022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran218462022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung34262022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung25322022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone34542022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa24032022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar05212022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov35062022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali14322022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu04132022/02/08 01:47
by greenishfu
band structurereza majidinia04232022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov14692022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro26702022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang46052022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka34542022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack74972022/01/20 19:34
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]


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


- Web Patio -