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Topics Author Replies Views Last Modified
Wrong Uele for periodic system with large basisDaniil49252017/06/05 21:13
by Daniil
what is the purpose of -Dxt3 in the makefile? [SOLVED]Chris Latham29142017/06/01 19:44
by Chris Latham
variable cell optimizationmosahar611732017/06/01 17:18
by mosahar
Significant mismatch between the bandgap values computed by bandstructure and Dos (Not solved ...)AM812742017/05/28 12:05
by T. Ozaki
Bessel expansion of PAO/VPSArtem Pulkin512012017/05/24 09:45
by T. Ozaki
Memcpy argument memory ranges overlap with MPICH2 (SOLVED)Kylin129582017/05/24 09:26
by T. Ozaki
Output format of the stress tensorPascal Bliem111002017/05/23 17:36
by Yung Ting Lee
Segmentation fault in _IO_vfprintf with large basisDaniil419682017/05/19 05:02
by Daniil
Compile openMX with Intel Compiler and ACML math libraryKylin414112017/05/18 11:09
by T. Ozaki
how to compare the energy calculated from openmx and vaspFrank Zhou114972017/05/18 09:27
by T. Ozaki
NEGF.tran.Kgridmmhs510672017/04/28 02:37
by mmhs
Phonon dispersion Fronquer314642017/04/25 07:27
by Kylin
polB SH110832017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo712572017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP410132017/04/20 13:10
by T. Ozaki
cell depictiontom.h19362017/04/12 18:18
by T. Ozaki
compiling issuesLuca212392017/04/09 21:45
by Luca
OpenMX input by OpenMX ViewerT. Ozaki012842017/04/08 10:43
by T. Ozaki
tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergencelzotti210602017/04/08 00:36
by lzotti
Can I optimize the "Optimized PAO"?Pui-Wai (Leo) Ma512152017/03/31 17:50
by Pui-Wai (Leo) Ma
gap calculation with homo-lumoMaedeh211542017/03/27 15:31
by Maedeh
weird output in ".dat#"Pui-Wai (Leo) Ma611492017/03/26 23:53
by Kylin
ERROR: Lapack routine DSTEQR failedPui-Wai (Leo) Ma214082017/03/26 18:27
by T. Ozaki
The misterious performance deteriorationKylin211222017/03/21 09:27
by T. Ozaki
Beginner's question for OpenMX 3.7A. Vogt312942017/03/20 21:47
by A. Vogt
openmx3.6amer29682017/03/15 15:25
by amer
Fatal error in NEGF runAndy1013892017/03/14 18:55
by Fronquer
leadsamin210132017/03/13 19:34
by Artem Pulkin
The Divergence of graphene calulcation in ESM model (ON2, M|V|M)Kylin114152017/03/11 09:33
by T. Ozaki
The strange Nan result for negf_example/Lead-L-8ZGNR-NC.datKylin518092017/03/11 09:21
by T. Ozaki
Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.datKylin813612017/03/10 15:55
by T. Ozaki
OMXToolNaoya Yamaguchi113312017/03/10 00:03
by T. Ozaki
VPS and PAO gridsDaniil110952017/03/09 23:38
by T. Ozaki
cuda patchamer210162017/03/09 02:55
by amer
Patch 3.8.3 to OpenMX Ver. 3.8T. Ozaki08962017/03/08 15:01
by T. Ozaki
transmission(bias window)ebrahim112642017/03/08 11:28
by T. Ozaki
openmx-hksArtem Pulkin113662017/03/08 11:09
by T. Ozaki
Japanese manual of the OpenMX Ver. 3.8T. Ozaki09892017/03/08 01:27
by T. Ozaki
Spin density and charge transferAsad211262017/03/04 04:48
by Asad
openmx-3.8.1 and the latest ELPAmarcindulak113332017/03/02 22:49
by T. Ozaki
Patch 3.8.2 to OpenMX Ver. 3.8T. Ozaki010982017/03/02 22:40
by T. Ozaki
OpenMX 3.8 compiling errorShinya Tsukamoto314242017/03/02 22:38
by T. Ozaki
Berry phase calculation failureJohn Sham114162017/03/02 22:34
by T. Ozaki
convergence-graphene sheetDeniz412352017/03/02 21:43
by T. Ozaki
DFT-D3 for grapheneS Dechamps115162017/03/02 14:51
by T. Ozaki
Open Coredch210672017/03/02 13:51
by T. Ozaki
non-collinear anglesRoman Borovic113612017/03/02 11:53
by T. Ozaki
For parallel compile "make -j"Atsushi M. Ito111402017/03/02 11:46
by T. Ozaki
Variable cell optimization with external pressureLe The Anh111982017/03/02 10:24
by T. Ozaki
MD.Opt.EveryDIISamer111882017/02/26 13:20
by Naoya Yamaguchi

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