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From AdministratorTaisuke Ozaki046352005/01/09 05:33
by Taisuke Ozaki
Spin polarization versus bias voltage Fronquer032017/02/22 19:50
by Fronquer
Fatal error in NEGF runAndy052017/02/21 15:41
by Andy
openmx-3.8.1 and the latest ELPAmarcindulak0142017/02/20 23:26
by marcindulak
OpenMX 3.8 compiling errorShinya Tsukamoto2272017/02/16 23:54
by Naoya Yamaguchi
Spin density and charge transferAsad0272017/02/09 02:16
by Asad
Berry phase calculation failureJohn Sham0272017/02/06 17:06
by John Sham
negf-vcrelaxhamed6732017/01/27 20:55
by Artem Pulkin
DFT-D3 for grapheneS Dechamps0502017/01/27 03:03
by S Dechamps
non-collinear anglesRoman Borovic0392017/01/23 21:03
by Roman Borovic
drPeter Brodnicki1602017/01/21 01:56
by Artem Pulkin
For parallel compile "make -j"Atsushi M. Ito0432017/01/19 12:03
by Atsushi M. Ito
SCF not converged in Non-linear DFT calculationXiaoqing Liang0542017/01/19 07:25
by Xiaoqing Liang
convergenceamir0522017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham0692017/01/10 12:06
by John Sham
Variable cell optimization with external pressureLe The Anh0502017/01/10 11:20
by Le The Anh
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin0632017/01/09 19:09
by Kylin
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin4802017/01/09 18:34
by Kylin
Bulk TransmissionDavid21412017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps6822017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen1612017/01/03 18:01
by Artem Pulkin
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin4812016/12/28 00:08
by Kylin
charge,spin (current densities)Pavan choudary11162016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 11532016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar11202016/12/26 17:32
by T. Ozaki
about MAELuca 1842016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian0942016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia11122016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke91342016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps62052016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary31032016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki01532016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas81732016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä11052016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysisduan21432016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit21512016/10/16 22:31
by TO
PAOs for anionsDaniil11492016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil21792016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.21562016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes21512016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi21782016/10/16 19:01
by T. Ozaki
error on make TranMain with Ubuntu 14.04 LTSDiego01292016/10/05 07:00
by Diego
error on make DosMain with Ubuntu 14.04 LTSDiego01282016/10/05 06:57
by Diego
How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS?Diego Castillo V.01102016/10/04 03:27
by Diego Castillo V.
NEGF Calculation HangingPeter21282016/10/03 20:21
by Peter
Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS)Diego Castillo01692016/09/29 03:25
by Diego Castillo
Installation Problem OpenMX 3.7Diego Castillo22372016/09/29 02:59
by Diego Castillo
Convergence Issue: Very High Value of UeleNikhil22202016/09/22 13:40
by Nikhil
installation error 3.8pavan choudary01412016/09/20 16:58
by pavan choudary
Installation 3.8Krishna21912016/09/10 19:06
by Krishna

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