OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
Bandgap underestimation problem-bulk TeMaedeh22952022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran13092022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li22822022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland65032022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima75572022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato13992022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang24632022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat22962022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh13362022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li12852022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus23812022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li22702022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung02592022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar13452022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen44722022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran216262022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung33242022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung23592022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone33362022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa22932022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar03872022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov33512022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali13232022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu03022022/02/08 01:47
by greenishfu
band structurereza majidinia03192022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov13112022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro25332022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang44422022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka33232022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack73562022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani23162022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur03562022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn02942022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka42962022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose58202022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad43652022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin33612022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang53932022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara13132021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh33872021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao12912021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli13502021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani85212021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki03122021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato13022021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i13542021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana13062021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps03312021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami34272021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi97212021/11/26 10:58
by Masanobu Miyata

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29]

Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator

- Web Patio -