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Topics Author Replies Views Last Modified
Crystal structure with a moleculeELIE ALBERT73392022/08/26 10:58
by ELIE ALBERT
Spin Matrix ElementsJoel12892022/08/25 16:09
by T. Ozaki
SiC polymorphic DOS does not match with VASPIK13942022/08/24 14:11
by T. Ozaki
Problem with Jx calculationHemant Arora13432022/08/22 21:11
by Naoya Yamaguchi
About Onsite and Intersite interactions of DFT+U Yosua 23162022/08/16 10:52
by Yosua
Disagreement between bandgaps in band dispersion and DOSELIE ALBERT62812022/08/13 04:16
by ELIE ALBERT
Forces with core-holePavel Ondracka12612022/08/10 18:23
by T. Ozaki
STM image - energy window Michele Amato23502022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin103832022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka43852022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT22862022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat22742022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang13512022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd33442022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat103732022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT24092022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung22752022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou12522022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda46052022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran168812022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda13402022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh53502022/06/20 17:01
by T. Ozaki
NEGF setupGurung14292022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra14872022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra13832022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik15052022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 14262022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi14172022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov13302022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK15122022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK13242022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat24382022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li205132022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur33462022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li34742022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li297292022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh23912022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran14112022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li23562022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland66452022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima77462022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato15162022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang25922022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat23732022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh14042022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li13692022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus24492022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li23482022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung03222022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar14252022/03/01 12:48
by Naoya Yamaguchi

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