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Topics Author Replies Views Last Modified
Meaning of FNAN[Gc_AN] hou46452020/11/13 09:19
by hou
SiC + buffer layer 2x2 unfolding errorMalone77272020/11/11 07:01
by Malone
Ionic contribution of sawtooth potential for electric fields to force on atomsNaoya Yamaguchi09422020/11/03 04:49
by Naoya Yamaguchi
Test issuesGilad Gani66192020/11/02 19:36
by Naoya Yamaguchi
determination of magnetic moment by charge analysisreza26032020/11/02 15:22
by reza
Atom out of cell during geometry optimizationHan15632020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation errorGilad Gani914522020/11/01 18:56
by Gilad Gani
BLACS WARNINGHusnan16012020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9reza27082020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputerRiemann Dearakhshan29492020/10/30 04:47
by Riemann Dearakhshan
Macroscopic polarization calculation by Berry's phaseHOI15582020/10/29 01:00
by Naoya Yamaguchi
Install OpenMX with GCC 10Naoya Yamaguchi110412020/10/27 14:02
by Naoya Yamaguchi
Structure of parallelization in OpenMXAsako Terasawa25312020/10/26 18:00
by Asako Terasawa
Geometry optimization convergence with O(N) methodsMauro Sgroi36762020/10/23 17:04
by Mauro Sgroi
About input files for periodic system under zero biasLei 06242020/10/22 19:51
by Lei
MD energy drift using DC-LNO methodKelvin68072020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquidMauro Sgroi25822020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculationreza47412020/10/21 20:26
by reza
optimization problem reza26042020/10/21 20:24
by reza
Melting temperatureArtem Pulkin15682020/10/21 17:01
by T. Ozaki
About Zeeman termsLiu Jie15742020/10/21 16:42
by T. Ozaki
Can we obtain the orbital decomposition of exchange coupling parameterYi Ding25782020/10/21 16:36
by T. Ozaki
Spin orbit coupling Hamiltonian of isolated atomsChong Wang88462020/10/21 01:01
by T. Ozaki
Segmentation fault with version 3.9.2Mauro Sgroi28222020/10/14 16:45
by Mauro Sgroi
Unfolding cannot assign atoms in supercell-slab calculationsEike F. Schwier2012002020/10/12 17:26
by Naoya Yamaguchi
Error when Installing OpenMX 3.9 Han312102020/10/10 02:28
by Naoya Yamaguchi
Clarification on ESMMauro Sgroi108592020/10/08 17:52
by Mauro Sgroi
Polarization calculationSergey118552020/10/08 02:46
by Naoya Yamaguchi
Error of test calculation and automatic running testHase Tsubasa127112020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi56252020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone26162020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan15642020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt26072020/09/29 18:52
by Zsolt
Large Una energy valuesMalone25572020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin35962020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka46742020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur16032020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes05902020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi38972020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan06142020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps05602020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai26002020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te116422020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps06242020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh46662020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes06782020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank26712020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes26292020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes05922020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie26962020/07/20 15:42
by Liu Jie

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