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From AdministratorTaisuke Ozaki023862021/04/07 21:20
by Taisuke Ozaki
Request for suggestions on my 64-atom SiC supercell band structure calculationWuyi.He0262026/03/17 18:32
by Wuyi.He
What's the units of physical quantities in *.scfout files?lzx1302026/03/16 17:39
by Naoya Yamaguchi
Dielectric function with SOCVipin Kumar22252026/03/14 09:02
by Vipin Kumar
Units of spin texture in kSpin outputXinliang Huang1352026/03/13 01:15
by Naoya Yamaguchi
Spintexture for the supercell in the first brillouin zone (primitive)Md Aktar Hossain2762026/03/02 15:26
by Md Aktar Hossain
undefined species name in Atoms.SpeciesAndCoordinatesGibu1702026/03/01 16:29
by Kazume NISHIDATE
Total Number of k points and bands for the orbital analysisKieran1742026/02/24 14:47
by Naoya Yamaguchi
Error with the num of thread in ADPACK codeKieran11842026/01/28 13:20
by Hiroyuki Kawai
Hermiticity and Diagonal term in the Hamiltonian and Overlap MatricesKieran01422026/01/28 12:09
by Kieran
Inquiry about Projected Band Structure Calculation in OpenMXYoutao Xu12062026/01/09 17:47
by Naoya Yamaguchi
Basic compilation options for current Debian "Stable" (ver. 13.2)A.Marmodoro01692025/12/03 00:34
by A.Marmodoro
GPU-accelerated version OpenMX 3.9.9 is now availableHiroyuki Kawai314912025/11/28 13:07
by Hiroyuki Kawai
Created a Docker image for OpenMX 3.9.9Hiroyuki Kawai02022025/11/28 12:59
by Hiroyuki Kawai
Why there is no 2.11_MO.AtomMulP file output for the spin texture calculationKieran52912025/11/16 20:47
by Naoya Yamaguchi
Compiling OpemMX in Arch LinuxKoichi Kawai02262025/11/16 03:55
by Koichi Kawai
Issue enabling van der Waals correction in NEB calculations AY13904112102025/10/31 15:16
by Naoya Yamaguchi
Regarding Intensity Map executable Vipin Kumar01712025/10/30 09:30
by Vipin Kumar
Nanotube makerKazume NISHIDATE02082025/10/13 15:00
by Kazume NISHIDATE
The correct optimization processAtefeh12512025/10/08 14:18
by Yung-Ting Lee
spin-polarized transmission with spin-orbit couplingdc35607472025/09/05 13:39
by dc356
psm3Kazume NISHIDATE07352025/09/05 07:51
by Kazume NISHIDATE
Monotony error on Output during OpenMX Molecular Dynamics calculationBin Shao18572025/08/26 22:30
by Kazume NISHIDATE
Energy decomposition from nonlocal pseudopotential partJiang Wang38172025/08/26 21:44
by Kazume NISHIDATE
the DFT+U and the SOC formalismKazume NISHIDATE49612025/08/21 19:18
by Kazume NISHIDATE
patch3.9.9 is corruptedMd Abdul Muntakim18382025/08/19 13:58
by Kazume NISHIDATE
Total charge of an anion is different from idealHiroki Akutsu28492025/08/09 11:55
by Hiroki Akutsu
Questions on <Unfolding.Map> and Compiler Compatibility FeedbackMaedeh28852025/08/02 01:40
by Maedeh
Specifications of OpenMX ViewerKinoshita49602025/07/31 18:21
by Kinoshita
The files dropped into OpenMX ViewerKinoshita27962025/07/31 09:27
by Kinoshita
About intraband transition in optical conductivity Yu Zhou28082025/07/30 23:48
by Yung-Ting Lee
Procedure to contribute to OpenMX source codejekk08152025/07/30 03:20
by jekk
The impact of different basis sets on Jij (jx-code)shiyc08162025/07/29 16:06
by shiyc
Atomic resolved band energy and atomic resolved magnetic anisotropy FePt  Xubo Liu19072025/07/29 02:23
by Xubo Liu
BgGKrzysztof 07892025/07/28 20:24
by Krzysztof
Optical Conductivity with SOCXueheng Kuang18342025/07/24 13:46
by Yung-Ting Lee
OpenMX4Kelvin A316052025/07/05 13:57
by W. X. Ji
Unconventional absorption energy obtaineddena210052025/07/01 19:04
by dena
Assignment orbital number and dirrection in a PDOS output.TAKUMA TAKEDA08482025/07/01 15:20
by TAKUMA TAKEDA
My process was killed when I investigate YIG with 160 atomsLZQ19072025/06/26 23:48
by Aleksey
How are the settings of dftd?dena08282025/06/10 22:48
by dena
How are the settings of dftd?dena110002025/06/02 21:11
by dena
Convergence Behavior of Spin Moments in Noncollinear Magnetic Order. ~ energycutoff and Kgrid ~Soichiro Kikuchi010012025/06/02 16:52
by Soichiro Kikuchi
Build openmx-3.962 with AOCC compiler errorhlajungo311972025/05/04 17:00
by kylin
Total energy reported in  the end  filedina09942025/04/18 18:45
by dina
Total energy reporteddina010042025/04/18 18:36
by dina
Different cutoff radius for each basis functionDaniel Pozsar011322025/04/15 00:04
by Daniel Pozsar
Electric filed in Heterostructure SlabMd Aktar Hossain09692025/04/05 15:48
by Md Aktar Hossain
Error with the NEGF CalculationKieran09542025/04/05 12:35
by Kieran
Errors about the the integration range and the atom coordinatesKieran09412025/04/03 00:03
by Kieran

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