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OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gccchrinide12192023/11/05 14:24
by Naoya Yamaguchi
Charged Defects Formation Energy CorrectionMarc Tunica22552023/11/02 21:54
by Marc
2D line curve of Berry Curvature along k path in FBZArifia Pratiwi N.62852023/11/03 01:24
by Arifia Pratiwi N.
How to compile OpenMX on Cray programming EnvironmentPeter32482023/10/30 21:54
by T. Ozaki
Different Electric PolarizationElla104172023/10/30 21:21
by Naoya Yamaguchi
Error: Incorrect atoms position in the restart dat filekylin12312023/10/27 13:39
by T. Ozaki
Pseudopotential Gd  MissingZuxin Fu12362023/10/27 12:05
by T. Ozaki
MD.TempControl questionPavel Ondracka12182023/10/27 12:02
by T. Ozaki
Metallic nanotube Amina22742023/10/15 01:46
by Amina
projected density of statesmaedeh12422023/10/12 01:01
by Yung-Ting Lee
The 4th OpenMX developer's meetingT. Ozaki02972023/10/11 21:36
by T. Ozaki
error in band unfolding of 2D Roozbeh Anvari33122023/10/06 12:58
by Naoya Yamaguchi
Nanotube_Band structure_DOSAmina02722023/10/04 15:48
by Amina
Geometry optimization keeping symmetryH.Ueda14182023/09/28 21:38
by H.Ueda
Convergence issue from kerker_mixing Sam52692023/09/23 01:37
by Sam
Phonon calculationsMehdi Vejdanihemmat125862023/09/18 16:45
by Arif
differential charge densitywiwik32682023/09/13 22:13
by T. Ozaki
Help with Hamiltonian and Overlap matrices outputsAlexandre Cavalheiro22462023/09/13 12:08
by T. Ozaki
Some questions about electric transport calculationsYe Zhang12682023/09/13 12:05
by T. Ozaki
Why openMX need wannierpierre24812023/09/09 22:10
by Alexandre Cavalheiro
Is OpenMX Ver. 4.0 coming?Wei-xiao Ji23272023/09/08 12:06
by Wei-xiao Ji
Memory issue while XPS calculationCho12072023/09/07 16:11
by T. Ozaki
How to calculate MAE from DFT result in meV/f.u. unit?Arifia Pratiwi N.12352023/09/07 15:29
by T. Ozaki
installation error openMX3.9Cho12872023/09/02 12:36
by Naoya Yamaguchi
How to use the results of unfolding to draw band dispersionYe Zhang42862023/08/24 22:43
by Ye Zhang
Inconsistent forces between rhombohedral and hexagonal unit cellsHiroaki Tanaka22392023/08/22 15:05
by Hiroaki Tanaka
How to calculate  Dzyaloshinskii-Moriya interaction using OpenMX?YSW02622023/08/09 17:12
by YSW
Shifted position on NEB Ella02382023/08/02 09:23
by Ella
Problem with runtestCDDFM. Hiraishi43452023/07/12 10:22
by M. Hiraishi
How to generate transitional vector from the lattice constant? Wei Li12442023/07/08 13:19
by Naoya Yamaguchi
Polarizability and electron/hole effective mass calculation using OpenMXVipin Kumar03032023/06/29 10:17
by Vipin Kumar
rashba maedeh02742023/06/06 17:26
by maedeh
Second variational method and effective screening mediumKirou Sankaran02742023/06/02 22:58
by Kirou Sankaran
Calculation of the electronegativity of a periodic systemMasanobu Miyata43262023/05/31 17:37
by Masanobu Miyata
Importance of scf.fixed.grid in phonon calculationsMasanobu Miyata22712023/05/30 14:39
by Masanobu Miyata
Inverse Matrix of the HamiltonianKieran23382023/05/24 01:37
by Kieran
How does openMX decide the number of eigenvalues on a Kpoint (number of bands) and valance bandsTao Zhang33012023/05/18 17:44
by Tao Zhang
cation molecule interactionYong-Hong Zhao12902023/05/18 08:25
by T. Ozaki
New paperMehdi Vejdanihemmat15352023/05/18 08:19
by T. Ozaki
Questions on optB88-vdW correctionsXinlu Li14692023/05/18 08:18
by T. Ozaki
Hopping zero in Kohn Sham HamiltonianRik13572023/05/18 08:16
by T. Ozaki
how to simulate the spin disorderd materialszhou chao12642023/05/18 08:12
by T. Ozaki
Basis SetsZiba Torkashvand24572023/05/17 20:43
by Ziba Torkashvand
Electron Localization FunctionTomoya Naito23552023/05/14 04:25
by Tomoya Naito
Formation energy of charged defects in 2DRoozbeh Anvari23502023/05/13 06:00
by Roozbeh Anvari
Berry Phase (two dimensional system)ghina23032023/05/10 09:29
by ghina
question on the optimization of twisted graphene 3.84°Tao Zhang12912023/05/09 16:10
by Tao Zhang
jx_configImran Khan 23272023/05/09 11:34
by Imran Khan
An error occurred when the fedora linux system installed openmx:In file included from openmx.c:67: oC12952023/04/28 11:47
by Naoya Yamaguchi
Questions on vdW correctionsXinlu Li03282023/04/21 16:20
by Xinlu Li

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