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Topics Author Replies Views Last Modified
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou414162015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen010142015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada17802015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar1110882015/03/25 20:59
by Mosahar
prallel installationHaider Abbas18002015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin311172015/03/16 18:01
by Seungjin
RezaBehjatmanesh110932015/03/13 23:26
by Reza
error of negfWeiqi Lee07802015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee07962015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart18232015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin28502015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar1013342015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi17352015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi29092015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR39752015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki08322015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki29482015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek510772015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin17772015/02/20 16:57
by T. Ozaki
installation problemMosahhar110042015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin18622015/02/20 13:15
by T. Ozaki
Compile Error!masoud1254222015/02/19 00:05
by Masoud
scf convergence problem on Iron based supercell consisting of 484 atomsYueqiang Gu510902015/02/11 11:47
by Yueqiang Gu
scf convergence problem of Pt(111) slabWang Yuanqing1015422015/02/10 21:45
by T. Ozaki
pseudo-atomic basis orbitalsRiemann110532015/02/10 21:38
by T. Ozaki
how to read *.md file using XCrySDen softwareWang Yuanqing311402015/02/10 19:13
by Denis Music
Total energy in NEGFArtem Pulkin66282015/01/29 18:56
by Artem Pulkin
Transmisson through siliceneVahid08212015/01/22 20:23
by Vahid
MLWF obtained from OpenMXGuodong Yu410562015/01/22 11:10
by Guodong Yu
Electrostatic potential between leads in NEGF transport calculationsKonstantin Khromov28352015/01/20 19:45
by Konstantin Khromov
gcc errorWilliam19352014/12/15 14:27
by T.V.T. Duy
problem about example Gly_NH.datWang Yuanqing28632014/12/12 10:46
by Yuanqing Wang
The 3rd OpenMX/QMAS workshopT. Ozaki09692014/12/11 23:56
by T. Ozaki
mismatched energy values on same symmetry pointsKuraya38222014/12/11 22:12
by T. Ozaki
no error no run!masoud17152014/12/11 01:24
by Artem Pulkin
md calculation errorWang Yuanqing18932014/12/10 19:09
by Artem Pulkin
PAO and VPS for CarbonKonstantin Khromov29792014/11/27 06:26
by T. Ozaki
DoctorKonstantin Khromov17912014/11/26 20:29
by Konstantin Khromov
INput file for Bi2Se3ANANT19792014/11/24 20:12
by Artem Pulkin
Writing the code for (1,1,1) surface for any crystal ANANT17422014/11/23 08:29
by T. Ozaki
Question about non-collinear MLWF calculationLimillas111812014/11/23 08:26
by T. Ozaki
VPS and PAO for TerbiumM. M. Anas28732014/11/21 19:05
by M. M. Anas
NEGF and insulatorsArtem Pulkin19062014/11/21 00:09
by T. Ozaki
Fe spin numbersSepideh28792014/11/15 02:12
by sepideh
discrepancies results between openmx-siesta-vasp on slab calculation without vdwDuverger Eric214312014/11/14 06:30
by Duverger
I had some error when I tried to install openMXWang Yuanqing211142014/11/12 15:01
by Yuanqing Wang
Transmission Through SiliceneVahid111192014/11/03 19:12
by Artem Pulkin
Installing Openmx with Ifort and IccVahid217282014/10/31 22:23
by Vahid
including hybrid functionalMosahhar09882014/10/28 16:17
by Mosahhar
DFT-D2 Julieth212952014/10/28 04:59
by Julieth

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