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Topics Author Replies Views Last Modified
problem in DOS calculationmaedeh14142022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li13822022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus24612022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li23562022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung03362022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar14372022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen45612022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran217672022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung33952022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung24872022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone34182022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa23702022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar04782022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov34612022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali14022022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu03832022/02/08 01:47
by greenishfu
band structurereza majidinia03962022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov14212022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro26392022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang45532022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka34162022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack74492022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani23962022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur04392022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn03932022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka43772022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose59282022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad44522022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin34642022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang55002022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara13922021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh34832021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao13642021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli14262021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani86572021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki03982021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato13832021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i14552021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana13902021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps04202021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami36042021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi98142021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon14402021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar46082021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran96742021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda25122021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 25582021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang76672021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi24372021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka048702021/11/08 16:31
by Pavel Ondracka

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