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

List of Threads

Topics Author Replies Views Last Modified
Why the Dirac point of pristine monolayer graphene is above the Fermi levelKieran05852024/09/01 00:38
by Kieran
Question about reading openmx.sccfoutLZX14072024/08/30 15:01
by Naoya Yamaguchi
Band and magnetism of YIG with 80 atoms completely wrongLZQ24202024/08/20 09:31
by LZQ
OpenMX 3.9 Installation on an AlmaLinux 8.7 system with Intel oneAPI 2024.2Shunichiro Ito2120202024/08/19 09:49
by Shunichiro Ito
Spin Spiral CalculationsZsolt03992024/07/30 22:02
by Zsolt
Estimation of memory usage and time consuming for one SCF loop.ZHANG LINGZHI03792024/07/29 19:26
by ZHANG LINGZHI
could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?berlin26792024/07/29 04:04
by Ripeng Luo
The polarization of semi-metallic systemanonym24482024/07/18 10:58
by anonym
Loss of symmetru with Hubbard UTimon Mosko04262024/07/17 23:44
by Timon Mosko
BSSE calculationAmina25232024/07/16 16:59
by Amina
Band unfolding: restart?Antonio Crepaldi04032024/07/16 16:04
by Antonio Crepaldi
Installation error of OpenMX 3.9 on MacA. Terasawa16202024/07/11 17:05
by T. Ozaki
Inquiry on External Electric Field Capabilities in OpenMXYang Zhong16452024/07/11 16:57
by T. Ozaki
Question for Sparse Calculation (position operator)Angus Hsu15102024/07/11 16:45
by T. Ozaki
Error while compiling openmx 3.9Zhang Ting15362024/07/09 10:44
by A. Terasawa
Band unfolding with rotated structuresAntonio Crepaldi04752024/06/21 00:20
by Antonio Crepaldi
Aborted in the NEGF calculation with OpenMXKieran05162024/06/18 18:29
by Kieran
error during compilation : DSO missing from command linedanial asad05422024/06/18 17:28
by danial asad
Why the KS-Hamiltonian is not Hermite?Liang Liu24862024/06/08 18:02
by Liang Liu
BoltzTraP calculationwiwik26672024/05/27 13:04
by wiwik
Optical Calculations with Spin orbit couplingVipin Kumar05752024/05/27 11:34
by Vipin Kumar
Questions about the MO in periodic boundary condition and MLWF calculationLingzhi ZHANG45182024/05/23 13:43
by Naoya Yamaguchi
CDDF Material TypeVipin Kumar14672024/05/22 23:09
by Yung-Ting Lee
Net Charge by MullikenVipin Kumar15232024/05/22 22:51
by Yung-Ting Lee
Geometry and lattice constant during MD runVipin Kumar113952024/05/18 11:25
by Yung-Ting Lee
NEB convergence , climbing imageRoozbeh Anvari05822024/05/16 10:20
by Roozbeh Anvari
SCF Calculation in the NEGF calculationKieran04512024/05/13 12:40
by Kieran
How to compute electron localization functionJoel04452024/05/13 00:46
by Joel
Segmetation faultKieran05792024/05/11 17:27
by Kieran
bandunfold for twist TMD heterostructureNeil Xu24622024/05/08 18:12
by Neil Xu
Time consumed by the NEGF method in OpenMXKieran15612024/05/06 15:01
by Kieran
Error after install patch3.9.9Arifia14792024/05/03 12:59
by Naoya Yamaguchi
Question about unit of electric field calculationCHOI16422024/05/03 12:55
by Naoya Yamaguchi
Error in constraining methodxi14632024/05/02 19:41
by Yung-Ting Lee
Construction of the system for the NEGF transport calculationKieran04642024/05/02 10:38
by Kieran
k point sampling in negf calculationKieran14832024/04/30 15:18
by Kieran
The problem of using second-order perturbation method to calculate magnetic anisotropy performancejack25332024/04/22 12:25
by jack
Struggling in performing automating running test.Maria24662024/04/15 19:28
by Maria
The meaning of overlap matrix position/momentum operatorLiang Liu05472024/04/11 18:16
by Liang Liu
Energy vs Lattice constant: .EvsLC file not generatingVipin Kumar24162024/04/10 19:51
by Vipin Kumar
Non convergence in SOC and PBE+U calculationTong Zhao27832024/04/08 23:03
by Tong Zhao
inconsistent OpenMX and VASP band structures Eric05682024/04/05 22:13
by Eric
Physical meaning of positive and negative net chargeVipin Kumar56022024/04/01 13:16
by Vipin Kumar
installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04Koudzo109122024/03/29 21:22
by Hiroyuki Kawai
Error in running openmxJays19282024/03/29 12:16
by Jays
Error in undefined reference to `ompi_mpi_comm_null'Jaysen Brian S.215022024/03/29 10:41
by Jaysen Brian S.
electron-hole Columb matrixEric04122024/03/27 10:43
by Eric
Dynamical Matrix for the Thermal PropertyKieran67412024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin04732024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin14922024/02/03 15:16
by Naoya Yamaguchi

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 -