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DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi28622015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR39112015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki07932015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki28952015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek510172015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin17362015/02/20 16:57
by T. Ozaki
installation problemMosahhar19552015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin18132015/02/20 13:15
by T. Ozaki
Compile Error!masoud1251432015/02/19 00:05
by Masoud
scf convergence problem on Iron based supercell consisting of 484 atomsYueqiang Gu510122015/02/11 11:47
by Yueqiang Gu
scf convergence problem of Pt(111) slabWang Yuanqing1014472015/02/10 21:45
by T. Ozaki
pseudo-atomic basis orbitalsRiemann19592015/02/10 21:38
by T. Ozaki
how to read *.md file using XCrySDen softwareWang Yuanqing310832015/02/10 19:13
by Denis Music
Total energy in NEGFArtem Pulkin65572015/01/29 18:56
by Artem Pulkin
Transmisson through siliceneVahid07642015/01/22 20:23
by Vahid
MLWF obtained from OpenMXGuodong Yu410002015/01/22 11:10
by Guodong Yu
Electrostatic potential between leads in NEGF transport calculationsKonstantin Khromov27772015/01/20 19:45
by Konstantin Khromov
gcc errorWilliam18752014/12/15 14:27
by T.V.T. Duy
problem about example Gly_NH.datWang Yuanqing28082014/12/12 10:46
by Yuanqing Wang
The 3rd OpenMX/QMAS workshopT. Ozaki09302014/12/11 23:56
by T. Ozaki
mismatched energy values on same symmetry pointsKuraya37812014/12/11 22:12
by T. Ozaki
no error no run!masoud16772014/12/11 01:24
by Artem Pulkin
md calculation errorWang Yuanqing18352014/12/10 19:09
by Artem Pulkin
PAO and VPS for CarbonKonstantin Khromov29242014/11/27 06:26
by T. Ozaki
DoctorKonstantin Khromov17492014/11/26 20:29
by Konstantin Khromov
INput file for Bi2Se3ANANT19222014/11/24 20:12
by Artem Pulkin
Writing the code for (1,1,1) surface for any crystal ANANT17032014/11/23 08:29
by T. Ozaki
Question about non-collinear MLWF calculationLimillas111052014/11/23 08:26
by T. Ozaki
VPS and PAO for TerbiumM. M. Anas28332014/11/21 19:05
by M. M. Anas
NEGF and insulatorsArtem Pulkin18682014/11/21 00:09
by T. Ozaki
Fe spin numbersSepideh28382014/11/15 02:12
by sepideh
discrepancies results between openmx-siesta-vasp on slab calculation without vdwDuverger Eric213422014/11/14 06:30
by Duverger
I had some error when I tried to install openMXWang Yuanqing210662014/11/12 15:01
by Yuanqing Wang
Transmission Through SiliceneVahid110722014/11/03 19:12
by Artem Pulkin
Installing Openmx with Ifort and IccVahid216722014/10/31 22:23
by Vahid
including hybrid functionalMosahhar09352014/10/28 16:17
by Mosahhar
DFT-D2 Julieth212532014/10/28 04:59
by Julieth
problem with band interpolation using HS.outM. Chen122022014/10/27 22:48
by T. Ozaki
O(N) method in OpenmxChen113382014/10/27 22:41
by T. Ozaki
patches for gcc-4.8.3/4.9.1marcindulak19892014/10/27 22:30
by T. Ozaki
Optimized norm-conserving Vanderbilt pseudopotentialschrinide116192014/10/27 22:26
by T. Ozaki
localised and itinerant electron specificationTamal Goswami120012014/10/27 22:18
by T. Ozaki
Compile ErrorHossein134032014/09/25 18:43
by Artem Pulkin
Transport Properties in Charged CompoundsLeone212112014/09/16 01:21
by Leone
problem with grapheneNehmat116512014/09/15 22:33
by Artem Pulkin
Segmentation fault : NEGF step.1 The calculations for leads Lee119362014/09/15 22:01
by Artem Pulkin
installation problem Khalid8193382014/09/10 11:14
by T.V.T. Duy
lapack subroutines for diagonizationJohn Chan18952014/08/29 18:36
by Artem
One more NEGF issueArtem1334882014/08/25 21:03
by Artem
Dipole correction for slab calculationSung Beom Cho543062014/08/21 16:51
by T. Ozaki

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