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Topics Author Replies Views Last Modified
Energy levels of a moleculeELIE ALBERT28692022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat28302022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang112872022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd39102022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat109982022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT212542022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung28492022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou17222022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda424302022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran1620152022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda19882022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh58272022/06/20 17:01
by T. Ozaki
NEGF setupGurung18822022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra19972022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra18062022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik112482022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 19852022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi19632022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov18272022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK111872022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK17882022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat210542022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li2011972022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur38082022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li310672022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li294212022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh210152022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran112222022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li28542022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland618842022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima715972022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato113092022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang213652022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat27982022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh18072022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li18432022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus210742022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li27832022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung07152022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar19392022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen411202022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2120702022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung39312022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung210352022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone39272022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa29622022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar010512022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov39992022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali18122022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu08062022/02/08 01:47
by greenishfu

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