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Topics Author Replies Views Last Modified
Estimation of memory usage and time consuming for one SCF loop.ZHANG LINGZHI03282024/07/29 19:26
by ZHANG LINGZHI
could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?berlin25462024/07/29 04:04
by Ripeng Luo
The polarization of semi-metallic systemanonym23722024/07/18 10:58
by anonym
Loss of symmetru with Hubbard UTimon Mosko03452024/07/17 23:44
by Timon Mosko
BSSE calculationAmina24262024/07/16 16:59
by Amina
Band unfolding: restart?Antonio Crepaldi03382024/07/16 16:04
by Antonio Crepaldi
Installation error of OpenMX 3.9 on MacA. Terasawa15272024/07/11 17:05
by T. Ozaki
Inquiry on External Electric Field Capabilities in OpenMXYang Zhong15442024/07/11 16:57
by T. Ozaki
Question for Sparse Calculation (position operator)Angus Hsu14352024/07/11 16:45
by T. Ozaki
Error while compiling openmx 3.9Zhang Ting14612024/07/09 10:44
by A. Terasawa
Band unfolding with rotated structuresAntonio Crepaldi03962024/06/21 00:20
by Antonio Crepaldi
Aborted in the NEGF calculation with OpenMXKieran04102024/06/18 18:29
by Kieran
error during compilation : DSO missing from command linedanial asad04772024/06/18 17:28
by danial asad
Why the KS-Hamiltonian is not Hermite?Liang Liu24032024/06/08 18:02
by Liang Liu
BoltzTraP calculationwiwik25702024/05/27 13:04
by wiwik
Optical Calculations with Spin orbit couplingVipin Kumar04752024/05/27 11:34
by Vipin Kumar
Questions about the MO in periodic boundary condition and MLWF calculationLingzhi ZHANG44562024/05/23 13:43
by Naoya Yamaguchi
CDDF Material TypeVipin Kumar13952024/05/22 23:09
by Yung-Ting Lee
Net Charge by MullikenVipin Kumar14552024/05/22 22:51
by Yung-Ting Lee
Geometry and lattice constant during MD runVipin Kumar113322024/05/18 11:25
by Yung-Ting Lee
NEB convergence , climbing imageRoozbeh Anvari04762024/05/16 10:20
by Roozbeh Anvari
SCF Calculation in the NEGF calculationKieran03892024/05/13 12:40
by Kieran
How to compute electron localization functionJoel03792024/05/13 00:46
by Joel
Segmetation faultKieran04842024/05/11 17:27
by Kieran
bandunfold for twist TMD heterostructureNeil Xu23982024/05/08 18:12
by Neil Xu
Time consumed by the NEGF method in OpenMXKieran14782024/05/06 15:01
by Kieran
Error after install patch3.9.9Arifia14112024/05/03 12:59
by Naoya Yamaguchi
Question about unit of electric field calculationCHOI15342024/05/03 12:55
by Naoya Yamaguchi
Error in constraining methodxi14132024/05/02 19:41
by Yung-Ting Lee
Construction of the system for the NEGF transport calculationKieran03912024/05/02 10:38
by Kieran
k point sampling in negf calculationKieran13902024/04/30 15:18
by Kieran
The problem of using second-order perturbation method to calculate magnetic anisotropy performancejack24462024/04/22 12:25
by jack
Struggling in performing automating running test.Maria24082024/04/15 19:28
by Maria
The meaning of overlap matrix position/momentum operatorLiang Liu04602024/04/11 18:16
by Liang Liu
Energy vs Lattice constant: .EvsLC file not generatingVipin Kumar23502024/04/10 19:51
by Vipin Kumar
Non convergence in SOC and PBE+U calculationTong Zhao26732024/04/08 23:03
by Tong Zhao
inconsistent OpenMX and VASP band structures Eric04782024/04/05 22:13
by Eric
Physical meaning of positive and negative net chargeVipin Kumar55002024/04/01 13:16
by Vipin Kumar
installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04Koudzo107702024/03/29 21:22
by Hiroyuki Kawai
Error in running openmxJays17732024/03/29 12:16
by Jays
Error in undefined reference to `ompi_mpi_comm_null'Jaysen Brian S.213622024/03/29 10:41
by Jaysen Brian S.
electron-hole Columb matrixEric03482024/03/27 10:43
by Eric
Dynamical Matrix for the Thermal PropertyKieran66422024/02/20 00:49
by Kieran
Can someone in London UK install OpenMX on my MacBookPro?Luca Turin04132024/02/05 23:51
by Luca Turin
NEGF Example Error  in step 1jangwonjin14172024/02/03 15:16
by Naoya Yamaguchi
About the imaginary part of the optical conductivityYe Zhang418942024/02/01 01:49
by Ye Zhang
UBUNTU 22.04.3 LTS openmx 3.9 install issueAHN JINWOO619882024/01/25 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.mrd413382024/01/18 22:07
by wkq
installation problem in Ubuntulee14472024/01/15 14:36
by lee
install problemsIr34932024/01/04 01:56
by Naoya Yamaguchi

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