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Installation problem in Ubuntu 24.04.1 LTSMd Aktar Hoosain63812024/12/29 00:42
by Md Aktar Hoosain
MD convergence bilayerLillian83172024/12/17 20:38
by Lillian
Results of Mulliken populations from different of EigenvalueSolver, Band and Cluster.Soichiro Kikuchi133082024/12/14 13:54
by Naoya Yamaguchi
How to enhance the symmetry constraints?shiyc63612024/12/13 20:20
by shiyc
kSpin(GridCalc) example gives incorrect spin textureSoichiro Kikuchi63422024/11/29 01:16
by Soichiro Kikuchi
energy matrix densityCarolina Gómez 02072024/11/28 21:48
by Carolina Gómez
Pseudopotential for Rare earth element, Yb.LINGZHI ZHANG02472024/11/28 11:48
by LINGZHI ZHANG
cross-density of state in energyCarolina Gómez 02382024/11/14 04:25
by Carolina Gómez
OpenMX parallelizationJose12632024/11/13 19:08
by Naoya Yamaguchi
Extract the spin data for input Wannier90Jack Turner12962024/11/12 12:58
by Naoya Yamaguchi
Electric polarization of BiFeO3 (procedure in obtaining net polarization)Amran Yatmeidhy53132024/11/01 21:56
by Naoya Yamaguchi
How to contribute a pseudopotential to the database?Malone02262024/10/30 00:01
by Malone
Memory allocation and optimal input settings when running calculations for large systemsBeniam12352024/10/29 23:42
by Beniam
Make error OpenMX3.9.9 on Intel(R) Xeon(R) Silver , have gcc , gfortran, intel-MKLyanyi133962024/10/29 10:37
by yanyi
Is it possible for the "2s" energy level to be higher than "3s" energy level?LZX02312024/10/21 15:05
by LZX
How can I get the orbital information?LZX02382024/10/18 16:01
by LZX
Decoding Connectivity mapAK02342024/10/17 10:53
by AK
How to get total energy from Hamiltonian？LZQ02362024/10/15 17:53
by LZQ
Compile error OpenMX3.9.9 on intel core i5, Debian 12 with gcc , gfortran, intel-MKL Tsutomu Hoshino23072024/10/05 13:58
by Tsutomu Hoshino
Ballistic transport calculationLaura02442024/10/04 16:43
by Laura
error install openmx3.9 ubuntu 20.4atefeh13052024/10/03 17:43
by Tsutomu Hoshino
xas calculationtakahisa ishiyama02512024/10/03 09:41
by takahisa ishiyama
ab initio molecular dynamics simulation for structural stabilityVipin Kumar02512024/09/24 12:07
by Vipin Kumar
Eu Pseudopotential ProblemOndrej Faiman12912024/09/17 09:53
by Hiroyuki Kawai
Installation the GPU version of openmxLZQ13672024/09/17 09:30
by Hiroyuki Kawai
TB2J vs JxOF03532024/09/13 23:10
by OF
How to find the "fermi level"?LZX12622024/09/13 18:55
by Naoya Yamaguchi
How to find the total energy after the structure relaxationKieran32552024/09/13 03:05
by Naoya Yamaguchi
How to extract overlap only?LZX03112024/09/05 13:41
by LZX
[BUG REPORT] NEB Image Script Error: Invalid Zero Coordinates with SCF.restart EnabledKylin02272024/09/04 15:09
by Kylin
Why the Dirac point of pristine monolayer graphene is above the Fermi levelKieran03922024/09/01 00:38
by Kieran
Question about reading openmx.sccfoutLZX12422024/08/30 15:01
by Naoya Yamaguchi
Band and magnetism of YIG with 80 atoms completely wrongLZQ22712024/08/20 09:31
by LZQ
OpenMX 3.9 Installation on an AlmaLinux 8.7 system with Intel oneAPI 2024.2Shunichiro Ito219722024/08/19 09:49
by Shunichiro Ito
Spin Spiral CalculationsZsolt02432024/07/30 22:02
by Zsolt
Estimation of memory usage and time consuming for one SCF loop.ZHANG LINGZHI02342024/07/29 19:26
by ZHANG LINGZHI
could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta?berlin23632024/07/29 04:04
by Ripeng Luo
The polarization of semi-metallic systemanonym22652024/07/18 10:58
by anonym
Loss of symmetru with Hubbard UTimon Mosko02372024/07/17 23:44
by Timon Mosko
BSSE calculationAmina22942024/07/16 16:59
by Amina
Band unfolding: restart?Antonio Crepaldi02372024/07/16 16:04
by Antonio Crepaldi
Installation error of OpenMX 3.9 on MacA. Terasawa13692024/07/11 17:05
by T. Ozaki
Inquiry on External Electric Field Capabilities in OpenMXYang Zhong13742024/07/11 16:57
by T. Ozaki
Question for Sparse Calculation (position operator)Angus Hsu13082024/07/11 16:45
by T. Ozaki
Error while compiling openmx 3.9Zhang Ting13322024/07/09 10:44
by A. Terasawa
Band unfolding with rotated structuresAntonio Crepaldi02892024/06/21 00:20
by Antonio Crepaldi
Aborted in the NEGF calculation with OpenMXKieran02902024/06/18 18:29
by Kieran
error during compilation : DSO missing from command linedanial asad03592024/06/18 17:28
by danial asad
Why the KS-Hamiltonian is not Hermite?Liang Liu22902024/06/08 18:02
by Liang Liu
BoltzTraP calculationwiwik23762024/05/27 13:04
by wiwik

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