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Topics Author Replies Views Last Modified
install problemsIr35002024/01/04 01:56
by Naoya Yamaguchi
Error in NEGF lead calculationP. Li04962023/12/20 17:50
by P. Li
Calculating exchange coupling using JxYaoShunWei04862023/12/16 21:05
by YaoShunWei
About charge dopingYSW04372023/12/14 19:33
by YSW
question geometry optimization doped siliconMarc04752023/12/11 19:34
by Marc
How to constrain the z axis ?YaoShunWei25302023/12/11 00:33
by YaoShunWei
Zeeman effect in openmxLINGZHI ZHANG04502023/12/08 15:59
by LINGZHI ZHANG
Problem with geometry optimizationLim36722023/11/26 01:16
by Lim
ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region.Tom04282023/11/21 14:32
by Tom
convergent problem during optimization with applying electric fieldTao05272023/11/20 16:58
by Tao
the orbital format in the HS.out file(the basis of KS element in matrix)LinTzuChing45142023/11/19 13:10
by LinTzuChing
About doping and electric fieldBudi04282023/11/16 17:41
by Budi
How to obtain PAO files generated with LDA.Hongwei Wang04182023/11/14 23:10
by Hongwei Wang
Smaller magnetic moments compared to VASPRiyajul Islam06482023/11/09 18:19
by Riyajul Islam
preparation of jx.config from scratchRiyajul Islam26112023/11/09 17:58
by Riyajul Islam
(FIXED) ERROR, key=geoopt.restart value=logicalkylin25532023/11/09 11:09
by T. Ozaki
OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gccchrinide15372023/11/05 14:24
by Naoya Yamaguchi
Charged Defects Formation Energy CorrectionMarc Tunica28052023/11/02 21:54
by Marc
2D line curve of Berry Curvature along k path in FBZArifia Pratiwi N.66422023/11/03 01:24
by Arifia Pratiwi N.
How to compile OpenMX on Cray programming EnvironmentPeter35992023/10/30 21:54
by T. Ozaki
Different Electric PolarizationElla107332023/10/30 21:21
by Naoya Yamaguchi
Error: Incorrect atoms position in the restart dat filekylin14972023/10/27 13:39
by T. Ozaki
Pseudopotential Gd  MissingZuxin Fu14862023/10/27 12:05
by T. Ozaki
MD.TempControl questionPavel Ondracka15222023/10/27 12:02
by T. Ozaki
Metallic nanotube Amina25422023/10/15 01:46
by Amina
projected density of statesmaedeh15962023/10/12 01:01
by Yung-Ting Lee
The 4th OpenMX developer's meetingT. Ozaki05692023/10/11 21:36
by T. Ozaki
error in band unfolding of 2D Roozbeh Anvari36272023/10/06 12:58
by Naoya Yamaguchi
Nanotube_Band structure_DOSAmina05192023/10/04 15:48
by Amina
Geometry optimization keeping symmetryH.Ueda18342023/09/28 21:38
by H.Ueda
Convergence issue from kerker_mixing Sam55602023/09/23 01:37
by Sam
Phonon calculationsMehdi Vejdanihemmat1214422023/09/18 16:45
by Arif
differential charge densitywiwik35882023/09/13 22:13
by T. Ozaki
Help with Hamiltonian and Overlap matrices outputsAlexandre Cavalheiro26412023/09/13 12:08
by T. Ozaki
Some questions about electric transport calculationsYe Zhang15642023/09/13 12:05
by T. Ozaki
Why openMX need wannierpierre29262023/09/09 22:10
by Alexandre Cavalheiro
Is OpenMX Ver. 4.0 coming?Wei-xiao Ji25852023/09/08 12:06
by Wei-xiao Ji
Memory issue while XPS calculationCho14652023/09/07 16:11
by T. Ozaki
How to calculate MAE from DFT result in meV/f.u. unit?Arifia Pratiwi N.16562023/09/07 15:29
by T. Ozaki
installation error openMX3.9Cho15262023/09/02 12:36
by Naoya Yamaguchi
How to use the results of unfolding to draw band dispersionYe Zhang45342023/08/24 22:43
by Ye Zhang
Inconsistent forces between rhombohedral and hexagonal unit cellsHiroaki Tanaka25392023/08/22 15:05
by Hiroaki Tanaka
How to calculate  Dzyaloshinskii-Moriya interaction using OpenMX?YSW05222023/08/09 17:12
by YSW
Shifted position on NEB Ella04982023/08/02 09:23
by Ella
Problem with runtestCDDFM. Hiraishi47222023/07/12 10:22
by M. Hiraishi
How to generate transitional vector from the lattice constant? Wei Li14852023/07/08 13:19
by Naoya Yamaguchi
Polarizability and electron/hole effective mass calculation using OpenMXVipin Kumar05822023/06/29 10:17
by Vipin Kumar
rashba maedeh05302023/06/06 17:26
by maedeh
Second variational method and effective screening mediumKirou Sankaran05452023/06/02 22:58
by Kirou Sankaran
Calculation of the electronegativity of a periodic systemMasanobu Miyata46502023/05/31 17:37
by Masanobu Miyata

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