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From AdministratorTaisuke Ozaki059862005/01/09 05:33
by Taisuke Ozaki
Unfolding cannot assign atoms in supercell-slab calculationsEike F. Schwier7812020/09/18 00:17
by Chi-Cheng
シャネルスーパーコピーシャネルスーパーコピー032020/09/17 20:02
by シャネルスーパーコピー
Per-atom energy from divide-conquerArtem Pulkin3472020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka4892020/09/15 15:23
by Pavel Ondracka
Clarification on ESMMauro Sgroi3262020/09/15 03:27
by Naoya Yamaguchi
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur1152020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes0112020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi3322020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan0442020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps0332020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai2542020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te1602020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps0482020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh4672020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes0542020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank2952020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes2682020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes0562020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie2782020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan2662020/07/20 08:08
by T. Ozaki
Crys-MnO example from workSergey41012020/07/11 09:22
by Sergey
MPI problem during compilingEike F. Schwier41362020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin111782020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David11032020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin2972020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh81622020/06/18 04:09
by Maedeh
Constrained relaxationSergey21242020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin11262020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin11012020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic42042020/06/10 16:23
by T. Ozaki
installation error-make filedeniz81792020/06/04 22:32
by Deniz
installation error openmx 3.9Altan122322020/05/28 20:58
by Altan
About building OpenMX on ubuntuhiroaki tanzawa01192020/05/26 18:24
by hiroaki tanzawa
MD energy drift using DC-LNO methodKelvin31522020/05/18 11:28
by Kylin
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher61662020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.11202020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie21442020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh21302020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor31352020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang51452020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P41272020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu11412020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa01822020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma43092020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa31372020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS51872020/03/30 20:20
by VictorS
Euler AngleMahyar41752020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata21462020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq63182020/03/28 20:13
by Hikaru Sawahata

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