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Topics Author Replies Views Last Modified
Segmentation fault in NEB calculationsLovleen Kaur31922022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li32592022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li294652022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh22092022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran11922022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li22032022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland63332022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima73902022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato12992022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang23092022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat22172022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh12652022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li12162022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus22492022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li22012022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung01942022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar12662022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen43842022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran214732022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung32452022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung22602022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone32582022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa22162022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar03032022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov32522022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali12542022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu02282022/02/08 01:47
by greenishfu
band structurereza majidinia02482022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov12252022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro24352022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang43232022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka32482022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack72782022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani22222022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur02662022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn02322022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka42242022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose56822022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad42732022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin32912022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang52972022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara12462021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh33062021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao12282021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli12702021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani84062021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki02442021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato12312021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i12832021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana12382021/12/11 16:31
by Naoya Yamaguchi

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