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From AdministratorTaisuke Ozaki014202021/04/07 21:20
by Taisuke Ozaki
Build openmx-3.962 with AOCC compiler errorhlajungo31042025/05/04 17:00
by kylin
Total energy reported in  the end  filedina0472025/04/18 18:45
by dina
Total energy reporteddina0402025/04/18 18:36
by dina
Different cutoff radius for each basis functionDaniel Pozsar0692025/04/15 00:04
by Daniel Pozsar
Electric filed in Heterostructure SlabMd Aktar Hossain0392025/04/05 15:48
by Md Aktar Hossain
Error with the NEGF CalculationKieran0372025/04/05 12:35
by Kieran
Errors about the the integration range and the atom coordinatesKieran0462025/04/03 00:03
by Kieran
Error occurs when running scfTieyuan Bian2542025/04/02 18:42
by Naoya Yamaguchi
Core-Hole Pseudo Cu 2pLuca Sementa0522025/03/25 01:59
by Luca Sementa
How to compute the retarded green function with the non-orthogonal-basis HamiltonianKieran1812025/03/11 22:13
by T. Ozaki
OpenMX installation (library in cluster machine)Amal81092025/03/03 19:39
by Amal
Install openMX3.9 on Ubuntu24Roya1812025/03/03 13:54
by Naoya Yamaguchi
How to use BoltzTrap2 interface with OpenMx Dr Santu1882025/02/28 19:44
by Masanobu Miyata
Help with Spin-Resolved Band Structure in Non-Collinear CaseMd Aktar Hossain1762025/02/27 21:54
by Naoya Yamaguchi
order on oprbitals in the density matrixLokamani1592025/02/18 13:54
by Lokamani
Problem with Pseudopotential Creation for F Atom containing 1s orbital in ADPACKEnomoto4962025/02/10 08:58
by Enomoto
How to use Mulliken charging data?dena2752025/02/09 02:14
by dena
Glycine optimizationdena81332025/02/07 14:44
by dena
Calculation of XPS absolute BE on surface slabHarry41332025/02/06 17:58
by Harry
OpenMX4Kelvin A24272025/02/04 15:15
by W. X. Ji
Problem in optimizing the absorption atefeh81342025/02/03 16:48
by atefeh
How to use?؛Automatic determination of the cell size؛dena2672025/02/03 15:39
by dena
Clarification on PAO Basis Suffixes, Range of Basis Set Choices, and Recommendations for Magnetic Exshiyc11372025/01/30 21:39
by T. Ozaki
Unreasonable exchange coupling parameters (Jij) for bcc Fe with increasing Kgrids obtained by jxGuangzong Xing2932025/01/30 21:27
by T. Ozaki
Setting time period in Nose-Hoover thermostat method during MD Vipin Kumar1882025/01/30 21:24
by T. Ozaki
Openmx3.9 installation error with intel oneapi 2025 versionSANTU BAIDYA21012025/01/30 15:05
by SANTU BAIDYA
Problem in installation openmx 3.9 EOM HUIYONG2892025/01/29 20:04
by SANTU BAIDYA
MPI problemMd Aktar Hossain71682025/01/23 17:34
by Md Aktar Hossain
Can calculations in OpenMX be performed in the water phase?atefeh0702025/01/19 05:01
by atefeh
Reason for changing the structure after runatefeh0642025/01/19 04:59
by atefeh
Unfolding in openmxMd Aktar Hossain11492025/01/18 17:26
by Naoya Yamaguchi
optical in negative energy rangeDebo Hao61532025/01/07 16:24
by Debo Hao
Mulliken population analysis_overlap matrix in openmxAmina32022024/12/31 21:42
by Naoya Yamaguchi
Installation problem in Ubuntu 24.04.1 LTSMd Aktar Hoosain61972024/12/29 00:42
by Md Aktar Hoosain
MD convergence bilayerLillian81802024/12/17 20:38
by Lillian
Results of Mulliken populations from different of EigenvalueSolver, Band and Cluster.Soichiro Kikuchi131852024/12/14 13:54
by Naoya Yamaguchi
How to enhance the symmetry constraints?shiyc61892024/12/13 20:20
by shiyc
kSpin(GridCalc) example gives incorrect spin textureSoichiro Kikuchi62002024/11/29 01:16
by Soichiro Kikuchi
energy matrix densityCarolina Gómez 0972024/11/28 21:48
by Carolina Gómez
Pseudopotential for Rare earth element, Yb.LINGZHI ZHANG01272024/11/28 11:48
by LINGZHI ZHANG
cross-density of state in energyCarolina Gómez 01192024/11/14 04:25
by Carolina Gómez
OpenMX parallelizationJose11522024/11/13 19:08
by Naoya Yamaguchi
Extract the spin data for input Wannier90Jack Turner11592024/11/12 12:58
by Naoya Yamaguchi
Electric polarization of BiFeO3 (procedure in obtaining net polarization)Amran Yatmeidhy51872024/11/01 21:56
by Naoya Yamaguchi
How to contribute a pseudopotential to the database?Malone01192024/10/30 00:01
by Malone
Memory allocation and optimal input settings when running calculations for large systemsBeniam11242024/10/29 23:42
by Beniam
Make error OpenMX3.9.9 on Intel(R) Xeon(R) Silver , have gcc , gfortran, intel-MKLyanyi132512024/10/29 10:37
by yanyi
Is it possible for the "2s" energy level to be higher than "3s" energy level?LZX01062024/10/21 15:05
by LZX
How can I get the orbital information?LZX01272024/10/18 16:01
by LZX

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