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Topics Author Replies Views Last Modified
Change direction of transmission in negf fileZeinab.mrd55632022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat35972022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik1216672022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi16172022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina127202022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 48382022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma25642022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang16572022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA36312022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur15082022/11/01 23:37
by T. Ozaki
Finished: Mentainance of the OpenMX websiteT. Ozaki04712022/10/31 01:15
by T. Ozaki
Error in MLWF calculated :rejectedAdantion27392022/10/21 13:54
by Adantion
About Fermi level and magnetic moment in MnBi2Te4ooteki48992022/10/21 13:04
by Oo Teki
How can I calculate the whole band dispersion in the Brillouin zone?Junyoung85702022/10/20 16:45
by Junyoung
Point group of a k-pointAlireza Baradaran15202022/10/20 14:59
by T. Ozaki
How to find interaction energy in result with using DFT-D3 methodAdantion15262022/10/20 14:57
by T. Ozaki
Z2 invariant calculationAlireza Baradaran58272022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato26832022/10/13 01:00
by Michele Amato
Survey on the use of simulation codesT. Ozaki05682022/09/27 09:23
by T. Ozaki
Any plans on OpenMX 4.0?Weixiao Ji28002022/09/21 09:59
by Weixiao Ji
Type mismatch error at line 985 while installing 'makefile' of openmx3.8 with Kali linux terminalMD NILOY KHAN56542022/09/20 16:37
by Naoya Yamaguchi
Sizes of Hamiltonian and Overlap matrices in OpenMXWenfei58972022/09/15 18:38
by T. Ozaki
Non-Collinear DFT Euler AnglesMax Fusté Costa25632022/09/14 22:51
by T. Ozaki
How to calculate Local DOS (not PDOS)IK29732022/09/14 22:47
by T. Ozaki
installation error:config-f90.hmahendra67602022/09/04 23:15
by mahendra
GPU vs. CPUMehdi Vejdanihemmat213642022/08/26 16:18
by Mehdi Vejdanihemmat
Crystal structure with a moleculeELIE ALBERT710892022/08/26 10:58
by ELIE ALBERT
Spin Matrix ElementsJoel15682022/08/25 16:09
by T. Ozaki
SiC polymorphic DOS does not match with VASPIK18082022/08/24 14:11
by T. Ozaki
Problem with Jx calculationHemant Arora16572022/08/22 21:11
by Naoya Yamaguchi
About Onsite and Intersite interactions of DFT+U Yosua 26162022/08/16 10:52
by Yosua
Disagreement between bandgaps in band dispersion and DOSELIE ALBERT65872022/08/13 04:16
by ELIE ALBERT
Forces with core-holePavel Ondracka15502022/08/10 18:23
by T. Ozaki
STM image - energy window Michele Amato26822022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin107842022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka46612022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT26272022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat25872022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang110252022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd37142022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat107932022/07/24 07:03
by Mehdi Vejdanihemmat
band structure and DOSELIE ALBERT29192022/07/24 00:05
by ELIE ALBERT
Questions about Definitioin.of.Atomic.SpeciesJunyoung26082022/07/22 14:53
by Junyoung
Overlap integrals of two atomic orbitalsZhufeng Hou15752022/07/22 03:55
by Naoya Yamaguchi
About the improvement in scf-convergence.Takuma Takeda414182022/06/30 21:43
by Takuma Takeda
Format of HS.out FileKieran1616672022/06/20 19:22
by T. Ozaki
Evaluation of Kerker factor.Takuma Takeda17152022/06/20 19:04
by T. Ozaki
calcularion of LDOSmaedeh56632022/06/20 17:01
by T. Ozaki
NEGF setupGurung17322022/06/16 12:54
by T. Ozaki
HOMO_LUMO_visualization_XcrysdenLina Bechohra18122022/06/16 12:46
by T. Ozaki

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