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OpenMX 3.9 installation errorS. Matsushima712282022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato19302022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang210052022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat26212022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh16472022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li16362022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus28502022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li25992022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung05552022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar17212022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen48392022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2112292022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung36532022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung27972022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone37092022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa26202022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar08182022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov37652022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali16252022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu06102022/02/08 01:47
by greenishfu
band structurereza majidinia06192022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov17412022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro29112022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang48912022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka36732022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack78102022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani26442022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur06992022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn06352022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka46452022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose512652022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad48002022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin38052022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang58162022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara16462021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh37442021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao15822021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli16712021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani810412021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki06252021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato16142021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i17192021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana15992021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps06352021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami39202021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi911102021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon16902021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar412242021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran910632021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda28552021/11/15 23:01
by Takuma Takeda

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