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error installation openMx version 3.6Moh. Adhib Ulil Abso07782015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo27222015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 26872015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek16572015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet37112015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno05212015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl05862015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu05222015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati15452015/11/29 20:44
by duan
magnetic field calculationhui fu27842015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati06062015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati04922015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas517362015/11/22 00:08
by Barati
executing error, band dispersion problemBarati66772015/11/14 19:17
by Barati
studentYi Wang36352015/11/14 16:05
by Yi Wang
parallel running errorduan234282015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak06862015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 77752015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai05632015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang06222015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?M. Yamada38072015/10/18 00:35
by M. Yamada
NEGF convergenceArtem Pulkin06712015/10/02 18:28
by Artem Pulkin
View details for molecular dynamicsVasiliy St05382015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculationPang06612015/09/17 01:54
by Pang
Crystal Relaxation under PressureKhalid06552015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy stepsKuan Zhou29292015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang17042015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid27542015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid29222015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier646242015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ17332015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi17772015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ17342015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow119982015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK16782015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid439152015/07/07 02:51
by Khalid
Some questions about transportkhalid28982015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ524012015/06/24 10:33
by KZ
*.sden.cubeRiemann27602015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ49562015/06/14 13:32
by KZ
TranMainboshra114752015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ109412015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni18842015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR339822015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier211382015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin17032015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong16372015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni26902015/05/26 21:33
by Giovanni
problem of instalationyouna28282015/05/24 06:36
by youna
Exchange parameterRakesh Kar07382015/04/29 21:37
by Rakesh Kar

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