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Topics Author Replies Views Last Modified
Z2 invariant calculationAlireza Baradaran57402022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato26292022/10/13 01:00
by Michele Amato
Survey on the use of simulation codesT. Ozaki05282022/09/27 09:23
by T. Ozaki
Any plans on OpenMX 4.0?Weixiao Ji27472022/09/21 09:59
by Weixiao Ji
Type mismatch error at line 985 while installing 'makefile' of openmx3.8 with Kali linux terminalMD NILOY KHAN56052022/09/20 16:37
by Naoya Yamaguchi
Sizes of Hamiltonian and Overlap matrices in OpenMXWenfei58142022/09/15 18:38
by T. Ozaki
Non-Collinear DFT Euler AnglesMax Fusté Costa25282022/09/14 22:51
by T. Ozaki
How to calculate Local DOS (not PDOS)IK28912022/09/14 22:47
by T. Ozaki
installation error:config-f90.hmahendra66872022/09/04 23:15
by mahendra
GPU vs. CPUMehdi Vejdanihemmat212102022/08/26 16:18
by Mehdi Vejdanihemmat
Crystal structure with a moleculeELIE ALBERT77902022/08/26 10:58
by ELIE ALBERT
Spin Matrix ElementsJoel15392022/08/25 16:09
by T. Ozaki
SiC polymorphic DOS does not match with VASPIK17662022/08/24 14:11
by T. Ozaki
Problem with Jx calculationHemant Arora16122022/08/22 21:11
by Naoya Yamaguchi
About Onsite and Intersite interactions of DFT+U Yosua 25722022/08/16 10:52
by Yosua
Disagreement between bandgaps in band dispersion and DOSELIE ALBERT65432022/08/13 04:16
by ELIE ALBERT
Forces with core-holePavel Ondracka15122022/08/10 18:23
by T. Ozaki
STM image - energy window Michele Amato26192022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin107152022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka46322022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT25792022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat25562022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang17802022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd36392022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat107492022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT27172022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung25422022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou15372022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda412172022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran1615682022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda16672022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh56252022/06/20 17:01
by T. Ozaki
NEGF setupGurung16862022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra17662022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra16162022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik18232022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 17512022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi17082022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov15942022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK18982022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK15932022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat27622022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li208622022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur36082022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li37892022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li2913162022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh27282022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran19272022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li26232022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland612062022/04/20 20:16
by Takeru Nakashima

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