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Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin89142017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi18712017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil16372017/03/09 23:38
by T. Ozaki
cuda patchamer26322017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki05592017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim17792017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin18162017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki06152017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad26992017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak18422017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki07222017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto39122017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham110562017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz48432017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps110462017/03/02 14:51
by T. Ozaki
Open Coredch26242017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic18382017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito17392017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh17902017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer17332017/02/26 13:20
by Naoya Yamaguchi
Spin polarization versus bias voltage Fronquer06472017/02/22 19:50
by Fronquer
negf-vcrelaxhamed67262017/01/27 20:55
by Artem Pulkin
drPeter Brodnicki16172017/01/21 01:56
by Artem Pulkin
SCF not converged in Non-linear DFT calculationXiaoqing Liang06122017/01/19 07:25
by Xiaoqing Liang
convergenceamir06132017/01/18 04:48
by amir
found an overcomplete basis setJohn Sham07052017/01/10 12:06
by John Sham
Bulk TransmissionDavid28412017/01/07 10:49
by David
Convergence of NEGF in heterostructure S Dechamps69072017/01/05 20:16
by S Dechamps
What is the unit for Kohn-Sham potential in the output file *.vhart.cube and *.v0.cubechen16312017/01/03 18:01
by Artem Pulkin
charge,spin (current densities)Pavan choudary18462016/12/26 21:55
by Mitsuaki Kawamura
IV curve GrapheneMia 110992016/12/26 17:55
by T. Ozaki
crystallographic directionsJulio Aguiar17022016/12/26 17:32
by T. Ozaki
about MAELuca 17032016/12/26 17:26
by T. Ozaki
ErrorSaeid Amjadian06622016/11/20 12:37
by Saeid Amjadian
Non-equlibriumAdalicia17512016/11/18 18:30
by Artem Pulkin
Initial Charge DensitiesClarke912922016/11/15 15:29
by Clarke
Convergence of NEGF for defective GNRsS Dechamps612262016/11/10 20:07
by S Dechamps
how to match the DOS of NEGF with The transmission Pavan choudary37542016/11/09 17:28
by Pavan choudary
Patch 3.8.1 to OpenMX Ver. 3.8T. Ozaki07352016/10/21 15:50
by T. Ozaki
Manual setting of occupation numbersJan-Niclas810052016/10/20 17:22
by T. Ozaki
Implementation of EDM using the continued fraction representation of Fermi functionAri Ojanperä18032016/10/18 00:07
by T. Ozaki
Problem about Mulliken population analysisduan29632016/10/16 23:12
by T. Ozaki
Analysis of NEGF resultsRohit27482016/10/16 22:31
by TO
PAOs for anionsDaniil17722016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil29162016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.28882016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes27352016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi28722016/10/16 19:01
by T. Ozaki
error on make TranMain with Ubuntu 14.04 LTSDiego08332016/10/05 07:00
by Diego
error on make DosMain with Ubuntu 14.04 LTSDiego08092016/10/05 06:57
by Diego

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