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Topics Author Replies Views Last Modified
esp and scale factorsMehdi Vejdanihemmat28202022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang112752022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd39012022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat109882022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT212402022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung28382022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou17172022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda423662022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran1619942022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda19602022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh58172022/06/20 17:01
by T. Ozaki
NEGF setupGurung18712022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra19832022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra17922022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik112222022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 19692022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi19492022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov18162022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK111752022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK17772022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat210422022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li2011852022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur37932022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li310552022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li293842022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh210012022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran112122022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li28442022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland618442022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima715742022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato112852022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang213542022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat27852022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh17952022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li18282022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus210582022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li27702022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung07042022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar19282022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen410972022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2119622022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung39182022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung210212022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone39172022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa29362022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar010392022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov39852022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali18032022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu07952022/02/08 01:47
by greenishfu
band structurereza majidinia07772022/02/04 16:47
by reza majidinia

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