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Topics Author Replies Views Last Modified
error installation openMx version 3.6Moh. Adhib Ulil Abso011662015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo210322015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 211262015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek19002015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet310942015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno07612015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl08612015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu07432015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati17962015/11/29 20:44
by duan
magnetic field calculationhui fu210942015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati08552015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati07162015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas523372015/11/22 00:08
by Barati
executing error, band dispersion problemBarati69872015/11/14 19:17
by Barati
studentYi Wang38422015/11/14 16:05
by Yi Wang
parallel running errorduan237362015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak09312015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 710942015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai07892015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang08702015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?M. Yamada310702015/10/18 00:35
by M. Yamada
NEGF convergenceArtem Pulkin09652015/10/02 18:28
by Artem Pulkin
View details for molecular dynamicsVasiliy St07912015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculationPang09492015/09/17 01:54
by Pang
Crystal Relaxation under PressureKhalid09832015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy stepsKuan Zhou212632015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang19282015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid210292015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid211852015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier652182015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ110002015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi110862015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ19632015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow122972015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK19172015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid442482015/07/07 02:51
by Khalid
Some questions about transportkhalid211812015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ528712015/06/24 10:33
by KZ
*.sden.cubeRiemann29842015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ412592015/06/14 13:32
by KZ
TranMainboshra125922015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1013042015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni112032015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR345062015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier213742015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin19482015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong18602015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni29112015/05/26 21:33
by Giovanni
problem of instalationyouna211822015/05/24 06:36
by youna
Exchange parameterRakesh Kar010172015/04/29 21:37
by Rakesh Kar

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