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Topics Author Replies Views Last Modified
Error in NEGF lead calculationP. Li01452023/12/20 17:50
by P. Li
Calculating exchange coupling using JxYaoShunWei01522023/12/16 21:05
by YaoShunWei
About charge dopingYSW01212023/12/14 19:33
by YSW
question geometry optimization doped siliconMarc01312023/12/11 19:34
by Marc
How to constrain the z axis ?YaoShunWei21422023/12/11 00:33
by YaoShunWei
Zeeman effect in openmxLINGZHI ZHANG01322023/12/08 15:59
by LINGZHI ZHANG
Problem with geometry optimizationLim31872023/11/26 01:16
by Lim
ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region.Tom01312023/11/21 14:32
by Tom
convergent problem during optimization with applying electric fieldTao01362023/11/20 16:58
by Tao
the orbital format in the HS.out file(the basis of KS element in matrix)LinTzuChing41452023/11/19 13:10
by LinTzuChing
About doping and electric fieldBudi01262023/11/16 17:41
by Budi
How to obtain PAO files generated with LDA.Hongwei Wang01352023/11/14 23:10
by Hongwei Wang
Smaller magnetic moments compared to VASPRiyajul Islam01592023/11/09 18:19
by Riyajul Islam
preparation of jx.config from scratchRiyajul Islam21652023/11/09 17:58
by Riyajul Islam
(FIXED) ERROR, key=geoopt.restart value=logicalkylin21762023/11/09 11:09
by T. Ozaki
OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gccchrinide11632023/11/05 14:24
by Naoya Yamaguchi
Charged Defects Formation Energy CorrectionMarc Tunica22012023/11/02 21:54
by Marc
2D line curve of Berry Curvature along k path in FBZArifia Pratiwi N.62272023/11/03 01:24
by Arifia Pratiwi N.
How to compile OpenMX on Cray programming EnvironmentPeter31822023/10/30 21:54
by T. Ozaki
Different Electric PolarizationElla103592023/10/30 21:21
by Naoya Yamaguchi
Error: Incorrect atoms position in the restart dat filekylin11802023/10/27 13:39
by T. Ozaki
Pseudopotential Gd  MissingZuxin Fu11802023/10/27 12:05
by T. Ozaki
MD.TempControl questionPavel Ondracka11682023/10/27 12:02
by T. Ozaki
Metallic nanotube Amina22122023/10/15 01:46
by Amina
projected density of statesmaedeh11812023/10/12 01:01
by Yung-Ting Lee
The 4th OpenMX developer's meetingT. Ozaki02432023/10/11 21:36
by T. Ozaki
error in band unfolding of 2D Roozbeh Anvari32602023/10/06 12:58
by Naoya Yamaguchi
Nanotube_Band structure_DOSAmina01662023/10/04 15:48
by Amina
Geometry optimization keeping symmetryH.Ueda12042023/09/28 21:38
by H.Ueda
Convergence issue from kerker_mixing Sam52142023/09/23 01:37
by Sam
Phonon calculationsMehdi Vejdanihemmat123942023/09/18 16:45
by Arif
differential charge densitywiwik31992023/09/13 22:13
by T. Ozaki
Help with Hamiltonian and Overlap matrices outputsAlexandre Cavalheiro21932023/09/13 12:08
by T. Ozaki
Some questions about electric transport calculationsYe Zhang12212023/09/13 12:05
by T. Ozaki
Why openMX need wannierpierre24012023/09/09 22:10
by Alexandre Cavalheiro
Is OpenMX Ver. 4.0 coming?Wei-xiao Ji22822023/09/08 12:06
by Wei-xiao Ji
Memory issue while XPS calculationCho11622023/09/07 16:11
by T. Ozaki
How to calculate MAE from DFT result in meV/f.u. unit?Arifia Pratiwi N.11762023/09/07 15:29
by T. Ozaki
installation error openMX3.9Cho12312023/09/02 12:36
by Naoya Yamaguchi
How to use the results of unfolding to draw band dispersionYe Zhang42422023/08/24 22:43
by Ye Zhang
Inconsistent forces between rhombohedral and hexagonal unit cellsHiroaki Tanaka21862023/08/22 15:05
by Hiroaki Tanaka
How to calculate  Dzyaloshinskii-Moriya interaction using OpenMX?YSW02012023/08/09 17:12
by YSW
Shifted position on NEB Ella01942023/08/02 09:23
by Ella
Problem with runtestCDDFM. Hiraishi42752023/07/12 10:22
by M. Hiraishi
How to generate transitional vector from the lattice constant? Wei Li11902023/07/08 13:19
by Naoya Yamaguchi
Polarizability and electron/hole effective mass calculation using OpenMXVipin Kumar02222023/06/29 10:17
by Vipin Kumar
rashba maedeh02332023/06/06 17:26
by maedeh
Second variational method and effective screening mediumKirou Sankaran02212023/06/02 22:58
by Kirou Sankaran
Calculation of the electronegativity of a periodic systemMasanobu Miyata42552023/05/31 17:37
by Masanobu Miyata
Importance of scf.fixed.grid in phonon calculationsMasanobu Miyata22142023/05/30 14:39
by Masanobu Miyata

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