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Topics Author Replies Views Last Modified
About Fermi level and magnetic moment in MnBi2Te4ooteki42882022/10/21 13:04
by Oo Teki
How can I calculate the whole band dispersion in the Brillouin zone?Junyoung82322022/10/20 16:45
by Junyoung
Point group of a k-pointAlireza Baradaran11872022/10/20 14:59
by T. Ozaki
How to find interaction energy in result with using DFT-D3 methodAdantion11922022/10/20 14:57
by T. Ozaki
Z2 invariant calculationAlireza Baradaran52502022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato22142022/10/13 01:00
by Michele Amato
Survey on the use of simulation codesT. Ozaki02142022/09/27 09:23
by T. Ozaki
Any plans on OpenMX 4.0?Weixiao Ji23532022/09/21 09:59
by Weixiao Ji
Type mismatch error at line 985 while installing 'makefile' of openmx3.8 with Kali linux terminalMD NILOY KHAN52032022/09/20 16:37
by Naoya Yamaguchi
Sizes of Hamiltonian and Overlap matrices in OpenMXWenfei53222022/09/15 18:38
by T. Ozaki
Non-Collinear DFT Euler AnglesMax Fusté Costa22132022/09/14 22:51
by T. Ozaki
How to calculate Local DOS (not PDOS)IK22882022/09/14 22:47
by T. Ozaki
installation error:config-f90.hmahendra62332022/09/04 23:15
by mahendra
GPU vs. CPUMehdi Vejdanihemmat24572022/08/26 16:18
by Mehdi Vejdanihemmat
Crystal structure with a moleculeELIE ALBERT72592022/08/26 10:58
by ELIE ALBERT
Spin Matrix ElementsJoel12282022/08/25 16:09
by T. Ozaki
SiC polymorphic DOS does not match with VASPIK13072022/08/24 14:11
by T. Ozaki
Problem with Jx calculationHemant Arora12672022/08/22 21:11
by Naoya Yamaguchi
About Onsite and Intersite interactions of DFT+U Yosua 22482022/08/16 10:52
by Yosua
Disagreement between bandgaps in band dispersion and DOSELIE ALBERT62092022/08/13 04:16
by ELIE ALBERT
Forces with core-holePavel Ondracka11952022/08/10 18:23
by T. Ozaki
STM image - energy window Michele Amato22842022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin102912022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka43192022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT22242022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat22162022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang12862022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd32852022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat102672022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT23102022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung22162022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou11952022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda44642022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran166772022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda12552022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh52762022/06/20 17:01
by T. Ozaki
NEGF setupGurung13612022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra14022022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra13102022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik14082022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 13342022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi13332022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov12582022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK13992022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK12512022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat23142022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li204212022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur32762022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li33832022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li295872022/05/05 21:10
by Dongyu Liu

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