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Topics Author Replies Views Last Modified
Forces with core-holePavel Ondracka12532022/08/10 18:23
by T. Ozaki
STM image - energy window Michele Amato23412022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin103702022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka43792022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT22772022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat22652022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang13432022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd33362022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat103582022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT23922022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung22692022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou12442022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda45812022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran168552022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda13272022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh53432022/06/20 17:01
by T. Ozaki
NEGF setupGurung14222022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra14762022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra13742022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik14952022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 14112022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi14032022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov13202022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK14922022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK13162022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat24172022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li204972022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur33352022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li34582022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li297062022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh23762022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran13942022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li23462022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland66252022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima77162022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato15052022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang25752022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat23622022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh13942022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li13612022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus24412022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li23392022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung03132022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar14182022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen45422022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran217312022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung33772022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung24612022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone33972022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa23492022/02/18 19:14
by Shunsuke Yoshizawa

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