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From AdministratorTaisuke Ozaki010082021/04/07 21:20
by Taisuke Ozaki
„O„q„ƒ„…„w„t„p„u„}: „R„y„ƒ„„„u„}„p „{„p„t„p„ƒ„„„‚„€„r„„‡ „‚„p„q„€„„Charlessak052023/12/02 13:58
by Charlessak
Problem with geometry optimizationLim3412023/11/26 01:16
by Lim
ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region.Tom0202023/11/21 14:32
by Tom
convergent problem during optimization with applying electric fieldTao0212023/11/20 16:58
by Tao
the orbital format in the HS.out file(the basis of KS element in matrix)LinTzuChing4382023/11/19 13:10
by LinTzuChing
About doping and electric fieldBudi0222023/11/16 17:41
by Budi
How to obtain PAO files generated with LDA.Hongwei Wang0272023/11/14 23:10
by Hongwei Wang
Smaller magnetic moments compared to VASPRiyajul Islam0302023/11/09 18:19
by Riyajul Islam
preparation of jx.config from scratchRiyajul Islam2582023/11/09 17:58
by Riyajul Islam
(FIXED) ERROR, key=geoopt.restart value=logicalkylin2532023/11/09 11:09
by T. Ozaki
OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gccchrinide1502023/11/05 14:24
by Naoya Yamaguchi
Charged Defects Formation Energy CorrectionMarc Tunica2862023/11/02 21:54
by Marc
2D line curve of Berry Curvature along k path in FBZArifia Pratiwi N.6952023/11/03 01:24
by Arifia Pratiwi N.
How to compile OpenMX on Cray programming EnvironmentPeter3712023/10/30 21:54
by T. Ozaki
Different Electric PolarizationElla102222023/10/30 21:21
by Naoya Yamaguchi
Error: Incorrect atoms position in the restart dat filekylin1802023/10/27 13:39
by T. Ozaki
Pseudopotential Gd  MissingZuxin Fu1762023/10/27 12:05
by T. Ozaki
MD.TempControl questionPavel Ondracka1762023/10/27 12:02
by T. Ozaki
Metallic nanotube Amina21042023/10/15 01:46
by Amina
projected density of statesmaedeh1722023/10/12 01:01
by Yung-Ting Lee
The 4th OpenMX developer's meetingT. Ozaki01232023/10/11 21:36
by T. Ozaki
error in band unfolding of 2D Roozbeh Anvari31232023/10/06 12:58
by Naoya Yamaguchi
Nanotube_Band structure_DOSAmina0702023/10/04 15:48
by Amina
Geometry optimization keeping symmetryH.Ueda11032023/09/28 21:38
by H.Ueda
Convergence issue from kerker_mixing Sam51132023/09/23 01:37
by Sam
Phonon calculationsMehdi Vejdanihemmat121082023/09/18 16:45
by Arif
differential charge densitywiwik3902023/09/13 22:13
by T. Ozaki
Help with Hamiltonian and Overlap matrices outputsAlexandre Cavalheiro21022023/09/13 12:08
by T. Ozaki
Some questions about electric transport calculationsYe Zhang11182023/09/13 12:05
by T. Ozaki
Why openMX need wannierpierre22292023/09/09 22:10
by Alexandre Cavalheiro
Is OpenMX Ver. 4.0 coming?Wei-xiao Ji21532023/09/08 12:06
by Wei-xiao Ji
Memory issue while XPS calculationCho1792023/09/07 16:11
by T. Ozaki
How to calculate MAE from DFT result in meV/f.u. unit?Arifia Pratiwi N.1852023/09/07 15:29
by T. Ozaki
installation error openMX3.9Cho11062023/09/02 12:36
by Naoya Yamaguchi
How to use the results of unfolding to draw band dispersionYe Zhang41392023/08/24 22:43
by Ye Zhang
Inconsistent forces between rhombohedral and hexagonal unit cellsHiroaki Tanaka2942023/08/22 15:05
by Hiroaki Tanaka
How to calculate  Dzyaloshinskii-Moriya interaction using OpenMX?YSW01022023/08/09 17:12
by YSW
Shifted position on NEB Ella01062023/08/02 09:23
by Ella
Problem with runtestCDDFM. Hiraishi41712023/07/12 10:22
by M. Hiraishi
How to generate transitional vector from the lattice constant? Wei Li11042023/07/08 13:19
by Naoya Yamaguchi
error in visualize the STM image by WSxM 4.0 Beta 9.3 and WSxM 5.0 Develop 10.2zeinab.mrd34372023/07/07 14:01
by lychee lee
Polarizability and electron/hole effective mass calculation using OpenMXVipin Kumar01202023/06/29 10:17
by Vipin Kumar
rashba maedeh01482023/06/06 17:26
by maedeh
Second variational method and effective screening mediumKirou Sankaran01352023/06/02 22:58
by Kirou Sankaran
Calculation of the electronegativity of a periodic systemMasanobu Miyata41592023/05/31 17:37
by Masanobu Miyata
Importance of scf.fixed.grid in phonon calculationsMasanobu Miyata21302023/05/30 14:39
by Masanobu Miyata
Inverse Matrix of the HamiltonianKieran21692023/05/24 01:37
by Kieran
How does openMX decide the number of eigenvalues on a Kpoint (number of bands) and valance bandsTao Zhang31712023/05/18 17:44
by Tao Zhang
cation molecule interactionYong-Hong Zhao11472023/05/18 08:25
by T. Ozaki

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