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Topics Author Replies Views Last Modified
The problem of using second-order perturbation method to calculate magnetic anisotropy performancejack21762024/04/22 12:25
by jack
Struggling in performing automating running test.Maria21372024/04/15 19:28
by Maria
The meaning of overlap matrix position/momentum operatorLiang Liu01132024/04/11 18:16
by Liang Liu
Energy vs Lattice constant: .EvsLC file not generatingVipin Kumar21092024/04/10 19:51
by Vipin Kumar
Non convergence in SOC and PBE+U calculationTong Zhao22182024/04/08 23:03
by Tong Zhao
inconsistent OpenMX and VASP band structures Eric01842024/04/05 22:13
by Eric
Physical meaning of positive and negative net chargeVipin Kumar51892024/04/01 13:16
by Vipin Kumar
installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04Koudzo102392024/03/29 21:22
by Hiroyuki Kawai
Error in running openmxJays12292024/03/29 12:16
by Jays
Error in undefined reference to `ompi_mpi_comm_null'Jaysen Brian S.23492024/03/29 10:41
by Jaysen Brian S.
electron-hole Columb matrixEric01082024/03/27 10:43
by Eric
Dynamical Matrix for the Thermal PropertyKieran62422024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin01632024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin11572024/02/03 15:16
by Naoya Yamaguchi
About the imaginary part of the optical conductivityYe Zhang42452024/02/01 01:49
by Ye Zhang
UBUNTU 22.04.3 LTS openmx 3.9 install issueAHN JINWOO65762024/01/25 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.mrd47312024/01/18 22:07
by wkq
installation problem in Ubuntulee11762024/01/15 14:36
by lee
install problemsIr32052024/01/04 01:56
by Naoya Yamaguchi
Error in NEGF lead calculationP. Li01982023/12/20 17:50
by P. Li
Calculating exchange coupling using JxYaoShunWei01942023/12/16 21:05
by YaoShunWei
About charge dopingYSW01542023/12/14 19:33
by YSW
question geometry optimization doped siliconMarc01752023/12/11 19:34
by Marc
How to constrain the z axis ?YaoShunWei22002023/12/11 00:33
by YaoShunWei
Zeeman effect in openmxLINGZHI ZHANG01742023/12/08 15:59
by LINGZHI ZHANG
Problem with geometry optimizationLim32252023/11/26 01:16
by Lim
ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region.Tom01622023/11/21 14:32
by Tom
convergent problem during optimization with applying electric fieldTao01802023/11/20 16:58
by Tao
the orbital format in the HS.out file(the basis of KS element in matrix)LinTzuChing41822023/11/19 13:10
by LinTzuChing
About doping and electric fieldBudi01642023/11/16 17:41
by Budi
How to obtain PAO files generated with LDA.Hongwei Wang01672023/11/14 23:10
by Hongwei Wang
Smaller magnetic moments compared to VASPRiyajul Islam02372023/11/09 18:19
by Riyajul Islam
preparation of jx.config from scratchRiyajul Islam22082023/11/09 17:58
by Riyajul Islam
(FIXED) ERROR, key=geoopt.restart value=logicalkylin22912023/11/09 11:09
by T. Ozaki
OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gccchrinide11992023/11/05 14:24
by Naoya Yamaguchi
Charged Defects Formation Energy CorrectionMarc Tunica22382023/11/02 21:54
by Marc
2D line curve of Berry Curvature along k path in FBZArifia Pratiwi N.62682023/11/03 01:24
by Arifia Pratiwi N.
How to compile OpenMX on Cray programming EnvironmentPeter32362023/10/30 21:54
by T. Ozaki
Different Electric PolarizationElla104042023/10/30 21:21
by Naoya Yamaguchi
Error: Incorrect atoms position in the restart dat filekylin12172023/10/27 13:39
by T. Ozaki
Pseudopotential Gd  MissingZuxin Fu12232023/10/27 12:05
by T. Ozaki
MD.TempControl questionPavel Ondracka12022023/10/27 12:02
by T. Ozaki
Metallic nanotube Amina22652023/10/15 01:46
by Amina
projected density of statesmaedeh12222023/10/12 01:01
by Yung-Ting Lee
The 4th OpenMX developer's meetingT. Ozaki02822023/10/11 21:36
by T. Ozaki
error in band unfolding of 2D Roozbeh Anvari32992023/10/06 12:58
by Naoya Yamaguchi
Nanotube_Band structure_DOSAmina02062023/10/04 15:48
by Amina
Geometry optimization keeping symmetryH.Ueda13512023/09/28 21:38
by H.Ueda
Convergence issue from kerker_mixing Sam52512023/09/23 01:37
by Sam
Phonon calculationsMehdi Vejdanihemmat125212023/09/18 16:45
by Arif

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