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Topics Author Replies Views Last Modified
optical conductivity and dielectric function in ver. 3.9reza27762020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputerRiemann Dearakhshan210862020/10/30 04:47
by Riemann Dearakhshan
Macroscopic polarization calculation by Berry's phaseHOI16242020/10/29 01:00
by Naoya Yamaguchi
Install OpenMX with GCC 10Naoya Yamaguchi112312020/10/27 14:02
by Naoya Yamaguchi
Structure of parallelization in OpenMXAsako Terasawa25902020/10/26 18:00
by Asako Terasawa
Geometry optimization convergence with O(N) methodsMauro Sgroi37732020/10/23 17:04
by Mauro Sgroi
About input files for periodic system under zero biasLei 07362020/10/22 19:51
by Lei
MD energy drift using DC-LNO methodKelvin68912020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquidMauro Sgroi26622020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculationreza48142020/10/21 20:26
by reza
optimization problem reza26942020/10/21 20:24
by reza
Melting temperatureArtem Pulkin16482020/10/21 17:01
by T. Ozaki
About Zeeman termsLiu Jie16482020/10/21 16:42
by T. Ozaki
Can we obtain the orbital decomposition of exchange coupling parameterYi Ding26552020/10/21 16:36
by T. Ozaki
Spin orbit coupling Hamiltonian of isolated atomsChong Wang89312020/10/21 01:01
by T. Ozaki
Segmentation fault with version 3.9.2Mauro Sgroi29482020/10/14 16:45
by Mauro Sgroi
Unfolding cannot assign atoms in supercell-slab calculationsEike F. Schwier2013302020/10/12 17:26
by Naoya Yamaguchi
Error when Installing OpenMX 3.9 Han313562020/10/10 02:28
by Naoya Yamaguchi
Clarification on ESMMauro Sgroi109972020/10/08 17:52
by Mauro Sgroi
Polarization calculationSergey1110522020/10/08 02:46
by Naoya Yamaguchi
Error of test calculation and automatic running testHase Tsubasa131902020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi57132020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone27252020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan16312020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt26842020/09/29 18:52
by Zsolt
Large Una energy valuesMalone26272020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin36632020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka47452020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur16842020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes06762020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi310392020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan06912020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps06252020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai26742020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te118222020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps07032020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh47502020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes07782020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank27372020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes27022020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes06612020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie27752020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan26922020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier426222020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1111172020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David18672020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin27092020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh813382020/06/18 04:09
by Maedeh
Constrained relaxationSergey29162020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin111592020/06/10 17:07
by T. Ozaki

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