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Topics Author Replies Views Last Modified
make espMehdi Vejdanihemmat101492022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT21202022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung21102022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou1942022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda42182022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran163982022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda11192022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh51302022/06/20 17:01
by T. Ozaki
NEGF setupGurung11842022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra12212022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra11652022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik12112022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 11662022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi11702022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov11162022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK11582022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK11252022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat21662022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li202352022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur31282022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li31962022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li293732022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh21532022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran11372022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li21612022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland62382022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima72802022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato12172022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang22332022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat21682022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh12132022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li11632022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus21972022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li21452022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung01492022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar11932022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen43182022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran213692022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung31932022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung21992022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone31932022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa21692022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar02162022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov31962022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali11962022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu01762022/02/08 01:47
by greenishfu
band structurereza majidinia02012022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov11662022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro23592022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang42492022/01/25 12:29
by Naoya Yamaguchi

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