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Topics Author Replies Views Last Modified
How to calculate Local DOS (not PDOS)IK27622022/09/14 22:47
by T. Ozaki
installation error:config-f90.hmahendra65732022/09/04 23:15
by mahendra
GPU vs. CPUMehdi Vejdanihemmat29892022/08/26 16:18
by Mehdi Vejdanihemmat
Crystal structure with a moleculeELIE ALBERT75702022/08/26 10:58
by ELIE ALBERT
Spin Matrix ElementsJoel14382022/08/25 16:09
by T. Ozaki
SiC polymorphic DOS does not match with VASPIK16112022/08/24 14:11
by T. Ozaki
Problem with Jx calculationHemant Arora14922022/08/22 21:11
by Naoya Yamaguchi
About Onsite and Intersite interactions of DFT+U Yosua 24732022/08/16 10:52
by Yosua
Disagreement between bandgaps in band dispersion and DOSELIE ALBERT64432022/08/13 04:16
by ELIE ALBERT
Forces with core-holePavel Ondracka14112022/08/10 18:23
by T. Ozaki
STM image - energy window Michele Amato25032022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin105952022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka45302022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT24872022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat24612022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang16222022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd35242022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat106412022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT26042022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung24372022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou14412022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda410002022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran1614052022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda15562022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh55232022/06/20 17:01
by T. Ozaki
NEGF setupGurung15882022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra16632022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra15202022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik16952022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 16382022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi15992022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov14952022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK17552022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK15002022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat26542022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li207302022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur35132022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li36492022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li2911752022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh26132022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran18142022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li25132022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland610212022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima710882022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato17972022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang28722022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat25312022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh15552022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li15382022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus27342022/03/27 22:15
by Bagus

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