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Topics Author Replies Views Last Modified
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki03882017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto34542017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham17382017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz43942017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps15632017/03/02 14:51
by T. Ozaki
Open Coredch23442017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic14742017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito14272017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh14062017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer13792017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer03352017/02/22 19:50
by Fronquer
negf-vcrelaxhamed64542017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki13712017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang03632017/01/19 07:25
by Xiaoqing Liang
convergenceamir03852017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham04182017/01/10 12:06
by John Sham
Bulk TransmissionDavid25222017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps65182017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen13622017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary15282016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 16642016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar14602016/12/26 17:32
by T. Ozaki
about MAELuca 14142016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian03952016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia15032016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke96182016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps67582016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary34682016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki04842016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas85822016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä14742016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysisduan25732016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit24532016/10/16 22:31
by TO
PAOs for anionsDaniil14842016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil25822016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.25362016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes24762016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi25402016/10/16 19:01
by T. Ozaki
error on make TranMain with Ubuntu 14.04 LTSDiego05032016/10/05 07:00
by Diego
error on make DosMain with Ubuntu 14.04 LTSDiego04892016/10/05 06:57
by Diego
How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS?Diego Castillo V.04422016/10/04 03:27
by Diego Castillo V.
NEGF Calculation HangingPeter24522016/10/03 20:21
by Peter
Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS)Diego Castillo08692016/09/29 03:25
by Diego Castillo
Installation Problem OpenMX 3.7Diego Castillo26342016/09/29 02:59
by Diego Castillo
Convergence Issue: Very High Value of UeleNikhil26512016/09/22 13:40
by Nikhil
installation error 3.8pavan choudary03932016/09/20 16:58
by pavan choudary
Installation 3.8Krishna25242016/09/10 19:06
by Krishna
Exchange coupling parameter program (jx)Joao Amaral68972016/09/06 16:58
by Hongkee Yoon
Error points in Band Structure of SrVO3Priya Dey15212016/09/04 21:05
by T. Ozaki
MBJLDASehoon Oh15152016/09/02 12:06
by T. Ozaki

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