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Decoding Connectivity mapAK01292024/10/17 10:53
by AK
How to get total energy from Hamiltonian?LZQ01292024/10/15 17:53
by LZQ
Compile error OpenMX3.9.9 on intel core i5, Debian 12 with gcc , gfortran, intel-MKL Tsutomu Hoshino21752024/10/05 13:58
by Tsutomu Hoshino
Ballistic transport calculationLaura01362024/10/04 16:43
by Laura
error install openmx3.9 ubuntu 20.4atefeh12032024/10/03 17:43
by Tsutomu Hoshino
xas calculationtakahisa ishiyama01402024/10/03 09:41
by takahisa ishiyama
ab initio molecular dynamics simulation for structural stabilityVipin Kumar01362024/09/24 12:07
by Vipin Kumar
Eu Pseudopotential ProblemOndrej Faiman11812024/09/17 09:53
by Hiroyuki Kawai
Installation the GPU version of openmxLZQ12392024/09/17 09:30
by Hiroyuki Kawai
TB2J vs JxOF01952024/09/13 23:10
by OF
How to find the "fermi level"?LZX11442024/09/13 18:55
by Naoya Yamaguchi
How to find the total energy after the structure relaxationKieran31502024/09/13 03:05
by Naoya Yamaguchi
How to extract overlap only?LZX01792024/09/05 13:41
by LZX
[BUG REPORT] NEB Image Script Error: Invalid Zero Coordinates with SCF.restart EnabledKylin01202024/09/04 15:09
by Kylin
Why the Dirac point of pristine monolayer graphene is above the Fermi levelKieran02692024/09/01 00:38
by Kieran
Question about reading openmx.sccfoutLZX11272024/08/30 15:01
by Naoya Yamaguchi
Band and magnetism of YIG with 80 atoms completely wrongLZQ21592024/08/20 09:31
by LZQ
OpenMX 3.9 Installation on an AlmaLinux 8.7 system with Intel oneAPI 2024.2Shunichiro Ito216762024/08/19 09:49
by Shunichiro Ito
Spin Spiral CalculationsZsolt01382024/07/30 22:02
by Zsolt
Estimation of memory usage and time consuming for one SCF loop.ZHANG LINGZHI01322024/07/29 19:26
by ZHANG LINGZHI
could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?berlin22332024/07/29 04:04
by Ripeng Luo
The polarization of semi-metallic systemanonym21652024/07/18 10:58
by anonym
Loss of symmetru with Hubbard UTimon Mosko01352024/07/17 23:44
by Timon Mosko
BSSE calculationAmina21892024/07/16 16:59
by Amina
Band unfolding: restart?Antonio Crepaldi01312024/07/16 16:04
by Antonio Crepaldi
Installation error of OpenMX 3.9 on MacA. Terasawa12262024/07/11 17:05
by T. Ozaki
Inquiry on External Electric Field Capabilities in OpenMXYang Zhong12272024/07/11 16:57
by T. Ozaki
Question for Sparse Calculation (position operator)Angus Hsu11852024/07/11 16:45
by T. Ozaki
Error while compiling openmx 3.9Zhang Ting12232024/07/09 10:44
by A. Terasawa
Band unfolding with rotated structuresAntonio Crepaldi01822024/06/21 00:20
by Antonio Crepaldi
Aborted in the NEGF calculation with OpenMXKieran01752024/06/18 18:29
by Kieran
error during compilation : DSO missing from command linedanial asad02412024/06/18 17:28
by danial asad
Why the KS-Hamiltonian is not Hermite?Liang Liu21722024/06/08 18:02
by Liang Liu
BoltzTraP calculationwiwik22592024/05/27 13:04
by wiwik
Optical Calculations with Spin orbit couplingVipin Kumar02002024/05/27 11:34
by Vipin Kumar
Questions about the MO in periodic boundary condition and MLWF calculationLingzhi ZHANG42192024/05/23 13:43
by Naoya Yamaguchi
CDDF Material TypeVipin Kumar11692024/05/22 23:09
by Yung-Ting Lee
Net Charge by MullikenVipin Kumar12102024/05/22 22:51
by Yung-Ting Lee
Geometry and lattice constant during MD runVipin Kumar111152024/05/18 11:25
by Yung-Ting Lee
NEB convergence , climbing imageRoozbeh Anvari02122024/05/16 10:20
by Roozbeh Anvari
SCF Calculation in the NEGF calculationKieran01762024/05/13 12:40
by Kieran
How to compute electron localization functionJoel01692024/05/13 00:46
by Joel
Segmetation faultKieran02322024/05/11 17:27
by Kieran
bandunfold for twist TMD heterostructureNeil Xu21922024/05/08 18:12
by Neil Xu
Time consumed by the NEGF method in OpenMXKieran12452024/05/06 15:01
by Kieran
Error after install patch3.9.9Arifia12022024/05/03 12:59
by Naoya Yamaguchi
Question about unit of electric field calculationCHOI12302024/05/03 12:55
by Naoya Yamaguchi
Error in constraining methodxi12012024/05/02 19:41
by Yung-Ting Lee
Construction of the system for the NEGF transport calculationKieran01492024/05/02 10:38
by Kieran
k point sampling in negf calculationKieran11912024/04/30 15:18
by Kieran

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