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From AdministratorTaisuke Ozaki013472021/04/07 21:20
by Taisuke Ozaki
Problem with Pseudopotential Creation for F Atom containing 1s orbital in ADPACKEnomoto4382025/02/10 08:58
by Enomoto
How to use Mulliken charging data?dena2182025/02/09 02:14
by dena
Glycine optimizationdena8602025/02/07 14:44
by dena
Calculation of XPS absolute BE on surface slabHarry4592025/02/06 17:58
by Harry
OpenMX4Kelvin A23142025/02/04 15:15
by W. X. Ji
Problem in optimizing the absorption atefeh8892025/02/03 16:48
by atefeh
How to use?؛Automatic determination of the cell size؛dena2282025/02/03 15:39
by dena
Clarification on PAO Basis Suffixes, Range of Basis Set Choices, and Recommendations for Magnetic Exshiyc1742025/01/30 21:39
by T. Ozaki
Unreasonable exchange coupling parameters (Jij) for bcc Fe with increasing Kgrids obtained by jxGuangzong Xing2382025/01/30 21:27
by T. Ozaki
Setting time period in Nose-Hoover thermostat method during MD Vipin Kumar1262025/01/30 21:24
by T. Ozaki
Openmx3.9 installation error with intel oneapi 2025 versionSANTU BAIDYA2232025/01/30 15:05
by SANTU BAIDYA
Problem in installation openmx 3.9 EOM HUIYONG2292025/01/29 20:04
by SANTU BAIDYA
MPI problemMd Aktar Hossain7902025/01/23 17:34
by Md Aktar Hossain
Can calculations in OpenMX be performed in the water phase?atefeh0312025/01/19 05:01
by atefeh
Reason for changing the structure after runatefeh0242025/01/19 04:59
by atefeh
Unfolding in openmxMd Aktar Hossain1692025/01/18 17:26
by Naoya Yamaguchi
optical in negative energy rangeDebo Hao61062025/01/07 16:24
by Debo Hao
Mulliken population analysis_overlap matrix in openmxAmina31172024/12/31 21:42
by Naoya Yamaguchi
Installation problem in Ubuntu 24.04.1 LTSMd Aktar Hoosain61052024/12/29 00:42
by Md Aktar Hoosain
MD convergence bilayerLillian81262024/12/17 20:38
by Lillian
Results of Mulliken populations from different of EigenvalueSolver, Band and Cluster.Soichiro Kikuchi131392024/12/14 13:54
by Naoya Yamaguchi
How to enhance the symmetry constraints?shiyc61202024/12/13 20:20
by shiyc
kSpin(GridCalc) example gives incorrect spin textureSoichiro Kikuchi61482024/11/29 01:16
by Soichiro Kikuchi
energy matrix densityCarolina Gómez 0602024/11/28 21:48
by Carolina Gómez
Pseudopotential for Rare earth element, Yb.LINGZHI ZHANG0802024/11/28 11:48
by LINGZHI ZHANG
cross-density of state in energyCarolina Gómez 0882024/11/14 04:25
by Carolina Gómez
OpenMX parallelizationJose11062024/11/13 19:08
by Naoya Yamaguchi
Extract the spin data for input Wannier90Jack Turner11082024/11/12 12:58
by Naoya Yamaguchi
Electric polarization of BiFeO3 (procedure in obtaining net polarization)Amran Yatmeidhy51342024/11/01 21:56
by Naoya Yamaguchi
How to contribute a pseudopotential to the database?Malone0832024/10/30 00:01
by Malone
Memory allocation and optimal input settings when running calculations for large systemsBeniam1902024/10/29 23:42
by Beniam
Make error OpenMX3.9.9 on Intel(R) Xeon(R) Silver , have gcc , gfortran, intel-MKLyanyi131922024/10/29 10:37
by yanyi
Is it possible for the "2s" energy level to be higher than "3s" energy level?LZX0792024/10/21 15:05
by LZX
How can I get the orbital information?LZX0912024/10/18 16:01
by LZX
Decoding Connectivity mapAK0882024/10/17 10:53
by AK
How to get total energy from Hamiltonian?LZQ01022024/10/15 17:53
by LZQ
Compile error OpenMX3.9.9 on intel core i5, Debian 12 with gcc , gfortran, intel-MKL Tsutomu Hoshino21232024/10/05 13:58
by Tsutomu Hoshino
Ballistic transport calculationLaura0962024/10/04 16:43
by Laura
error install openmx3.9 ubuntu 20.4atefeh11672024/10/03 17:43
by Tsutomu Hoshino
xas calculationtakahisa ishiyama0982024/10/03 09:41
by takahisa ishiyama
ab initio molecular dynamics simulation for structural stabilityVipin Kumar01042024/09/24 12:07
by Vipin Kumar
Eu Pseudopotential ProblemOndrej Faiman11432024/09/17 09:53
by Hiroyuki Kawai
Installation the GPU version of openmxLZQ11842024/09/17 09:30
by Hiroyuki Kawai
TB2J vs JxOF01452024/09/13 23:10
by OF
How to find the "fermi level"?LZX11062024/09/13 18:55
by Naoya Yamaguchi
How to find the total energy after the structure relaxationKieran31092024/09/13 03:05
by Naoya Yamaguchi
How to extract overlap only?LZX01182024/09/05 13:41
by LZX
[BUG REPORT] NEB Image Script Error: Invalid Zero Coordinates with SCF.restart EnabledKylin0922024/09/04 15:09
by Kylin
Why the Dirac point of pristine monolayer graphene is above the Fermi levelKieran01922024/09/01 00:38
by Kieran

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