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Topics Author Replies Views Last Modified
make espMehdi Vejdanihemmat109422022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT211942022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung27832022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou16832022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda421912022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran1618972022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda18872022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh57782022/06/20 17:01
by T. Ozaki
NEGF setupGurung18372022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra19402022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra17562022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik111382022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 19152022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi18992022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov17662022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK111232022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK17382022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat29772022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li2011252022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur37492022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li310002022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li292192022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh29562022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran111452022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li27942022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland617232022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima715102022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato112092022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang212972022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat27482022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh17532022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li17852022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus210062022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li27342022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung06652022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar18822022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen410112022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2115702022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung38472022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung29532022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone38722022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa28482022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar09962022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov39382022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali17642022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu07532022/02/08 01:47
by greenishfu
band structurereza majidinia07422022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov19222022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro210792022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang411362022/01/25 12:29
by Naoya Yamaguchi

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