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Error in undefined reference to `ompi_mpi_comm_null'Jaysen Brian S.215852024/03/29 10:41
by Jaysen Brian S.
electron-hole Columb matrixEric04332024/03/27 10:43
by Eric
Dynamical Matrix for the Thermal PropertyKieran67652024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin04972024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin15152024/02/03 15:16
by Naoya Yamaguchi
About the imaginary part of the optical conductivityYe Zhang432362024/02/01 01:49
by Ye Zhang
UBUNTU 22.04.3 LTS openmx 3.9 install issueAHN JINWOO624342024/01/25 20:43
by Naoya Yamaguchi
error in visualize the STM image by WSxM 4.0 Beta 9.3 and WSxM 5.0 Develop 10.2zeinab.mrd414982024/01/18 22:07
by wkq
installation problem in Ubuntulee15242024/01/15 14:36
by lee
install problemsIr36062024/01/04 01:56
by Naoya Yamaguchi
Error in NEGF lead calculationP. Li05852023/12/20 17:50
by P. Li
Calculating exchange coupling using JxYaoShunWei05522023/12/16 21:05
by YaoShunWei
About charge dopingYSW05122023/12/14 19:33
by YSW
question geometry optimization doped siliconMarc05452023/12/11 19:34
by Marc
How to constrain the z axis ?YaoShunWei26052023/12/11 00:33
by YaoShunWei
Zeeman effect in openmxLINGZHI ZHANG05322023/12/08 15:59
by LINGZHI ZHANG
Problem with geometry optimizationLim38572023/11/26 01:16
by Lim
ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region.Tom04882023/11/21 14:32
by Tom
convergent problem during optimization with applying electric fieldTao06292023/11/20 16:58
by Tao
the orbital format in the HS.out file(the basis of KS element in matrix)LinTzuChing46452023/11/19 13:10
by LinTzuChing
About doping and electric fieldBudi04982023/11/16 17:41
by Budi
How to obtain PAO files generated with LDA.Hongwei Wang05082023/11/14 23:10
by Hongwei Wang
Smaller magnetic moments compared to VASPRiyajul Islam08142023/11/09 18:19
by Riyajul Islam
preparation of jx.config from scratchRiyajul Islam27042023/11/09 17:58
by Riyajul Islam
(FIXED) ERROR, key=geoopt.restart value=logicalkylin26382023/11/09 11:09
by T. Ozaki
OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gccchrinide16872023/11/05 14:24
by Naoya Yamaguchi
2D line curve of Berry Curvature along k path in FBZArifia Pratiwi N.67602023/11/03 01:24
by Arifia Pratiwi N.
Charged Defects Formation Energy CorrectionMarc Tunica210972023/11/02 21:54
by Marc
How to compile OpenMX on Cray programming EnvironmentPeter37072023/10/30 21:54
by T. Ozaki
Different Electric PolarizationElla108522023/10/30 21:21
by Naoya Yamaguchi
Error: Incorrect atoms position in the restart dat filekylin15772023/10/27 13:39
by T. Ozaki
Pseudopotential Gd  MissingZuxin Fu15692023/10/27 12:05
by T. Ozaki
MD.TempControl questionPavel Ondracka16102023/10/27 12:02
by T. Ozaki
Metallic nanotube Amina26342023/10/15 01:46
by Amina
projected density of statesmaedeh17072023/10/12 01:01
by Yung-Ting Lee
The 4th OpenMX developer's meetingT. Ozaki06682023/10/11 21:36
by T. Ozaki
error in band unfolding of 2D Roozbeh Anvari37642023/10/06 12:58
by Naoya Yamaguchi
Nanotube_Band structure_DOSAmina05982023/10/04 15:48
by Amina
Geometry optimization keeping symmetryH.Ueda19612023/09/28 21:38
by H.Ueda
Convergence issue from kerker_mixing Sam56902023/09/23 01:37
by Sam
Phonon calculationsMehdi Vejdanihemmat1217012023/09/18 16:45
by Arif
differential charge densitywiwik37292023/09/13 22:13
by T. Ozaki
Help with Hamiltonian and Overlap matrices outputsAlexandre Cavalheiro28882023/09/13 12:08
by T. Ozaki
Some questions about electric transport calculationsYe Zhang16722023/09/13 12:05
by T. Ozaki
Why openMX need wannierpierre210622023/09/09 22:10
by Alexandre Cavalheiro
Is OpenMX Ver. 4.0 coming?Wei-xiao Ji26942023/09/08 12:06
by Wei-xiao Ji
Memory issue while XPS calculationCho15582023/09/07 16:11
by T. Ozaki
How to calculate MAE from DFT result in meV/f.u. unit?Arifia Pratiwi N.17982023/09/07 15:29
by T. Ozaki
installation error openMX3.9Cho16102023/09/02 12:36
by Naoya Yamaguchi
How to use the results of unfolding to draw band dispersionYe Zhang46472023/08/24 22:43
by Ye Zhang

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