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Topics Author Replies Views Last Modified
Variable cell optimization with external pressureLe The Anh11572017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer11032017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer0822017/02/22 19:50
by Fronquer
negf-vcrelaxhamed61712017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki11372017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang01452017/01/19 07:25
by Xiaoqing Liang
convergenceamir01342017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham01552017/01/10 12:06
by John Sham
Bulk TransmissionDavid22422017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps61972017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen11332017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary12192016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 12642016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar11942016/12/26 17:32
by T. Ozaki
about MAELuca 11512016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian01662016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia11972016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke92232016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps63312016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary31942016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki02362016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas82552016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä11832016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysisduan22382016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit22282016/10/16 22:31
by TO
PAOs for anionsDaniil12292016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil22572016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.22452016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes22272016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi22672016/10/16 19:01
by T. Ozaki
error on make TranMain with Ubuntu 14.04 LTSDiego02082016/10/05 07:00
by Diego
error on make DosMain with Ubuntu 14.04 LTSDiego02092016/10/05 06:57
by Diego
How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS?Diego Castillo V.01832016/10/04 03:27
by Diego Castillo V.
NEGF Calculation HangingPeter22092016/10/03 20:21
by Peter
Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS)Diego Castillo02922016/09/29 03:25
by Diego Castillo
Installation Problem OpenMX 3.7Diego Castillo23142016/09/29 02:59
by Diego Castillo
Convergence Issue: Very High Value of UeleNikhil23042016/09/22 13:40
by Nikhil
installation error 3.8pavan choudary02132016/09/20 16:58
by pavan choudary
Installation 3.8Krishna22692016/09/10 19:06
by Krishna
Exchange coupling parameter program (jx)Joao Amaral64822016/09/06 16:58
by Hongkee Yoon
Error points in Band Structure of SrVO3Priya Dey12732016/09/04 21:05
by T. Ozaki
MBJLDASehoon Oh12602016/09/02 12:06
by T. Ozaki
Can openMX simulate few layer grapheneJohn Chen12992016/08/30 18:15
by Artem Pulkin
the question of bandgap and covalent bond John Chen42922016/08/30 17:18
by John Chen
Question about setting up angles in non-collinear DFTHung-Yu Yang12172016/08/30 16:30
by T. Ozaki
scf band calculations for different number of layersRohit32332016/08/29 14:39
by T. Ozaki
openmx3.7 errorzahra12602016/08/25 23:10
by Riemann
openmx3.8 errorzahra02292016/08/25 21:38
by zahra
There is a rigid shift toward negative energy in the band structure of MoS2 monolayerNadia Salami12972016/08/22 12:50
by T. Ozaki
Release of OpenMX Viewer Ver. 1.0T. Ozaki03172016/08/20 01:34
by T. Ozaki

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