OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
From AdministratorTaisuke Ozaki010832021/04/07 21:20
by Taisuke Ozaki
Non convergence in SOC and PBE+U calculationTong Zhao0132024/03/16 00:33
by Tong Zhao
Dynamical Matrix for the Thermal PropertyKieran6792024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin0472024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin1472024/02/03 15:16
by Naoya Yamaguchi
About the imaginary part of the optical conductivityYe Zhang41002024/02/01 01:49
by Ye Zhang
UBUNTU 22.04.3 LTS openmx 3.9 install issueAHN JINWOO61282024/01/25 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.mrd45242024/01/18 22:07
by wkq
installation problem in Ubuntulee1692024/01/15 14:36
by lee
install problemsIr3842024/01/04 01:56
by Naoya Yamaguchi
Error in NEGF lead calculationP. Li0692023/12/20 17:50
by P. Li
Calculating exchange coupling using JxYaoShunWei0792023/12/16 21:05
by YaoShunWei
About charge dopingYSW0642023/12/14 19:33
by YSW
question geometry optimization doped siliconMarc0722023/12/11 19:34
by Marc
How to constrain the z axis ?YaoShunWei2852023/12/11 00:33
by YaoShunWei
Zeeman effect in openmxLINGZHI ZHANG0702023/12/08 15:59
by LINGZHI ZHANG
Problem with geometry optimizationLim31292023/11/26 01:16
by Lim
ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region.Tom0782023/11/21 14:32
by Tom
convergent problem during optimization with applying electric fieldTao0762023/11/20 16:58
by Tao
the orbital format in the HS.out file(the basis of KS element in matrix)LinTzuChing4852023/11/19 13:10
by LinTzuChing
About doping and electric fieldBudi0752023/11/16 17:41
by Budi
How to obtain PAO files generated with LDA.Hongwei Wang0742023/11/14 23:10
by Hongwei Wang
Smaller magnetic moments compared to VASPRiyajul Islam0882023/11/09 18:19
by Riyajul Islam
preparation of jx.config from scratchRiyajul Islam21092023/11/09 17:58
by Riyajul Islam
(FIXED) ERROR, key=geoopt.restart value=logicalkylin21112023/11/09 11:09
by T. Ozaki
OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gccchrinide11022023/11/05 14:24
by Naoya Yamaguchi
Charged Defects Formation Energy CorrectionMarc Tunica21492023/11/02 21:54
by Marc
2D line curve of Berry Curvature along k path in FBZArifia Pratiwi N.61482023/11/03 01:24
by Arifia Pratiwi N.
How to compile OpenMX on Cray programming EnvironmentPeter31172023/10/30 21:54
by T. Ozaki
Different Electric PolarizationElla102862023/10/30 21:21
by Naoya Yamaguchi
Error: Incorrect atoms position in the restart dat filekylin11232023/10/27 13:39
by T. Ozaki
Pseudopotential Gd  MissingZuxin Fu11282023/10/27 12:05
by T. Ozaki
MD.TempControl questionPavel Ondracka11202023/10/27 12:02
by T. Ozaki
Metallic nanotube Amina21532023/10/15 01:46
by Amina
projected density of statesmaedeh11242023/10/12 01:01
by Yung-Ting Lee
The 4th OpenMX developer's meetingT. Ozaki01832023/10/11 21:36
by T. Ozaki
error in band unfolding of 2D Roozbeh Anvari31842023/10/06 12:58
by Naoya Yamaguchi
Nanotube_Band structure_DOSAmina01162023/10/04 15:48
by Amina
Geometry optimization keeping symmetryH.Ueda11532023/09/28 21:38
by H.Ueda
Convergence issue from kerker_mixing Sam51602023/09/23 01:37
by Sam
Phonon calculationsMehdi Vejdanihemmat122252023/09/18 16:45
by Arif
differential charge densitywiwik31422023/09/13 22:13
by T. Ozaki
Help with Hamiltonian and Overlap matrices outputsAlexandre Cavalheiro21462023/09/13 12:08
by T. Ozaki
Some questions about electric transport calculationsYe Zhang11762023/09/13 12:05
by T. Ozaki
Why openMX need wannierpierre23082023/09/09 22:10
by Alexandre Cavalheiro
Is OpenMX Ver. 4.0 coming?Wei-xiao Ji22292023/09/08 12:06
by Wei-xiao Ji
Memory issue while XPS calculationCho11212023/09/07 16:11
by T. Ozaki
How to calculate MAE from DFT result in meV/f.u. unit?Arifia Pratiwi N.11392023/09/07 15:29
by T. Ozaki
installation error openMX3.9Cho11762023/09/02 12:36
by Naoya Yamaguchi
How to use the results of unfolding to draw band dispersionYe Zhang41962023/08/24 22:43
by Ye Zhang

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30]


Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator


- Web Patio -