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STM image - energy window Michele Amato28632022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin1010182022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka48522022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT28832022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat28492022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang113152022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd39332022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat1010272022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT212832022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung28732022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou17392022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda425262022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran1620672022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda110332022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh58442022/06/20 17:01
by T. Ozaki
NEGF setupGurung19082022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra110242022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra18362022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik112972022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 110132022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi110142022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov18652022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK112172022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK18132022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat210922022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li2012682022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur38292022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li311082022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li294842022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh210462022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran112882022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li28832022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland619342022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima716332022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato113542022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang214022022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat28222022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh18322022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li18712022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus211002022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li28102022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung07402022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar19682022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen411672022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2122662022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung39642022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung210642022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone39522022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa210002022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar010842022/02/17 19:30
by Vipin Kumar

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