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

List of Threads

Topics Author Replies Views Last Modified
Disagreement between bandgaps in band dispersion and DOSELIE ALBERT64272022/08/13 04:16
by ELIE ALBERT
Forces with core-holePavel Ondracka13972022/08/10 18:23
by T. Ozaki
STM image - energy window Michele Amato24872022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin105702022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka45162022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT24752022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat24472022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang15892022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd35072022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat106182022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT25782022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung24172022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou14272022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda49302022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran1613202022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda15332022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh55052022/06/20 17:01
by T. Ozaki
NEGF setupGurung15732022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra16472022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra15062022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik16762022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 16132022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi15842022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov14772022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK17352022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK14732022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat26282022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li207032022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur34962022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li36272022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li2911222022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh25952022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran17902022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li24982022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland69802022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima710542022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato17702022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang28472022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat25172022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh15422022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li15142022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus27102022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li24812022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung04552022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar15932022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen47072022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2110492022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung35302022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung26722022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone35732022/02/22 09:01
by Malone

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 -