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Topics Author Replies Views Last Modified
Error of test calculation and automatic running testHase Tsubasa133982020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi57592020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone27662020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan16772020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt27302020/09/29 18:52
by Zsolt
Large Una energy valuesMalone26662020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin37002020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka48002020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur17292020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes07242020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi311252020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan07302020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps06592020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai27122020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te119262020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps07432020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh47922020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes08262020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank27802020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes27412020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes06982020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie28372020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan27332020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier427992020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1111982020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David19102020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin27492020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh814032020/06/18 04:09
by Maedeh
Constrained relaxationSergey29582020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin112112020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin17022020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic410962020/06/10 16:23
by T. Ozaki
installation error-make filedeniz827452020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa07122020/05/26 18:24
by hiroaki tanzawa
Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher68222020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.17022020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie211032020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh28532020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor37792020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang510642020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P47212020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu18122020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa07872020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma410612020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa38632020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS519662020/03/30 20:20
by VictorS
Euler AngleMahyar413272020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata29382020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq69862020/03/28 20:13
by Hikaru Sawahata
PMPI_Comm_size: Invalid communicator, error Garret Wong321162020/03/27 11:40
by Garret Wong

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