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

List of Threads

Topics Author Replies Views Last Modified
OpenMX 3.9 Installation on an AlmaLinux 8.7 system with Intel oneAPI 2024.2Shunichiro Ito2118532024/08/19 09:49
by Shunichiro Ito
Spin Spiral CalculationsZsolt03782024/07/30 22:02
by Zsolt
Estimation of memory usage and time consuming for one SCF loop.ZHANG LINGZHI03662024/07/29 19:26
by ZHANG LINGZHI
could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?berlin26452024/07/29 04:04
by Ripeng Luo
The polarization of semi-metallic systemanonym24302024/07/18 10:58
by anonym
Loss of symmetru with Hubbard UTimon Mosko04032024/07/17 23:44
by Timon Mosko
BSSE calculationAmina24972024/07/16 16:59
by Amina
Band unfolding: restart?Antonio Crepaldi03902024/07/16 16:04
by Antonio Crepaldi
Installation error of OpenMX 3.9 on MacA. Terasawa15972024/07/11 17:05
by T. Ozaki
Inquiry on External Electric Field Capabilities in OpenMXYang Zhong16162024/07/11 16:57
by T. Ozaki
Question for Sparse Calculation (position operator)Angus Hsu14882024/07/11 16:45
by T. Ozaki
Error while compiling openmx 3.9Zhang Ting15152024/07/09 10:44
by A. Terasawa
Band unfolding with rotated structuresAntonio Crepaldi04572024/06/21 00:20
by Antonio Crepaldi
Aborted in the NEGF calculation with OpenMXKieran04832024/06/18 18:29
by Kieran
error during compilation : DSO missing from command linedanial asad05212024/06/18 17:28
by danial asad
Why the KS-Hamiltonian is not Hermite?Liang Liu24592024/06/08 18:02
by Liang Liu
BoltzTraP calculationwiwik26392024/05/27 13:04
by wiwik
Optical Calculations with Spin orbit couplingVipin Kumar05502024/05/27 11:34
by Vipin Kumar
Questions about the MO in periodic boundary condition and MLWF calculationLingzhi ZHANG45002024/05/23 13:43
by Naoya Yamaguchi
CDDF Material TypeVipin Kumar14502024/05/22 23:09
by Yung-Ting Lee
Net Charge by MullikenVipin Kumar15082024/05/22 22:51
by Yung-Ting Lee
Geometry and lattice constant during MD runVipin Kumar113752024/05/18 11:25
by Yung-Ting Lee
NEB convergence , climbing imageRoozbeh Anvari05422024/05/16 10:20
by Roozbeh Anvari
SCF Calculation in the NEGF calculationKieran04342024/05/13 12:40
by Kieran
How to compute electron localization functionJoel04272024/05/13 00:46
by Joel
Segmetation faultKieran05522024/05/11 17:27
by Kieran
bandunfold for twist TMD heterostructureNeil Xu24432024/05/08 18:12
by Neil Xu
Time consumed by the NEGF method in OpenMXKieran15422024/05/06 15:01
by Kieran
Error after install patch3.9.9Arifia14572024/05/03 12:59
by Naoya Yamaguchi
Question about unit of electric field calculationCHOI16012024/05/03 12:55
by Naoya Yamaguchi
Error in constraining methodxi14522024/05/02 19:41
by Yung-Ting Lee
Construction of the system for the NEGF transport calculationKieran04492024/05/02 10:38
by Kieran
k point sampling in negf calculationKieran14432024/04/30 15:18
by Kieran
The problem of using second-order perturbation method to calculate magnetic anisotropy performancejack25112024/04/22 12:25
by jack
Struggling in performing automating running test.Maria24512024/04/15 19:28
by Maria
The meaning of overlap matrix position/momentum operatorLiang Liu05262024/04/11 18:16
by Liang Liu
Energy vs Lattice constant: .EvsLC file not generatingVipin Kumar23982024/04/10 19:51
by Vipin Kumar
Non convergence in SOC and PBE+U calculationTong Zhao27552024/04/08 23:03
by Tong Zhao
inconsistent OpenMX and VASP band structures Eric05352024/04/05 22:13
by Eric
Physical meaning of positive and negative net chargeVipin Kumar55732024/04/01 13:16
by Vipin Kumar
installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04Koudzo108692024/03/29 21:22
by Hiroyuki Kawai
Error in running openmxJays18872024/03/29 12:16
by Jays
Error in undefined reference to `ompi_mpi_comm_null'Jaysen Brian S.214562024/03/29 10:41
by Jaysen Brian S.
electron-hole Columb matrixEric03932024/03/27 10:43
by Eric
Dynamical Matrix for the Thermal PropertyKieran67132024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin04572024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin14732024/02/03 15:16
by Naoya Yamaguchi
About the imaginary part of the optical conductivityYe Zhang424752024/02/01 01:49
by Ye Zhang
UBUNTU 22.04.3 LTS openmx 3.9 install issueAHN JINWOO622182024/01/25 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.mrd414272024/01/18 22:07
by wkq

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] [31] [32] [33]


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


- Web Patio -