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Topics Author Replies Views Last Modified
Calculating PDOSSeungjin Kang113012016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang111392016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso015962015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo214642015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 216192015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek112612015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet315972015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno011312015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl012932015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu011432015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati111892015/11/29 20:44
by duan
magnetic field calculationhui fu216202015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati012492015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati010992015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas531462015/11/22 00:08
by Barati
executing error, band dispersion problemBarati614062015/11/14 19:17
by Barati
studentYi Wang312592015/11/14 16:05
by Yi Wang
parallel running errorduan241452015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak014002015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 715502015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai011602015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang012442015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?M. Yamada315572015/10/18 00:35
by M. Yamada
NEGF convergenceArtem Pulkin013822015/10/02 18:28
by Artem Pulkin
View details for molecular dynamicsVasiliy St012142015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculationPang013742015/09/17 01:54
by Pang
Crystal Relaxation under PressureKhalid013702015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy stepsKuan Zhou217022015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang113342015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid215452015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid215882015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier660002015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ114112015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi115522015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ113642015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow126942015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK113182015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid447092015/07/07 02:51
by Khalid
Some questions about transportkhalid215412015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ534642015/06/24 10:33
by KZ
*.sden.cubeRiemann213642015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ417602015/06/14 13:32
by KZ
TranMainboshra130632015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1018542015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni116212015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR351062015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier218242015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin113742015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong112672015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni213392015/05/26 21:33
by Giovanni

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