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Topics Author Replies Views Last Modified
How to calculate LaMnO3?Hiroya Nakata513052016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier522942016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla215412016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki517562016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang418452016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai111272016/04/20 19:06
by T. Ozaki
Compilation error version 3.8Mauro Sgroi215552016/04/19 18:23
by Mauro Sgroi
bug in the ESM moduleYun-Peng Wang140082016/04/15 14:08
by T. Ohwaki
why the change in result for the transport calculation for negf-8zgnr-0.3 when done with openmx3.5 Pavan choudary312672016/04/08 18:29
by T. Ozaki
First Installation Error of Openmx-3.8Riemann215282016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOCKeenan111872016/04/03 20:15
by T. Ozaki
Polarization by Berry's phaseGuilherme Maia212422016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?Yi Wang212042016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe systemHiroshi Tsukahara217292016/03/15 13:56
by T.Ozaki
how to know about stable structuresanjeev112192016/03/15 13:35
by T.Ozaki
Young’s modulussmart111412016/03/15 13:28
by T.Ozaki
Transport calculation not convergingSamuel213822016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin ConfigurationJong Hyun Jung112562016/02/17 16:27
by Jong Hyun Jung
K-dependent EigenstateRiemann212702016/02/12 01:55
by Riemann
Calculating PDOSSeungjin Kang112382016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang110772016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso015462015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo214162015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 215732015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek112092015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet315222015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno010912015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl012442015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu010902015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati111482015/11/29 20:44
by duan
magnetic field calculationhui fu215622015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati011972015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati010472015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas530952015/11/22 00:08
by Barati
executing error, band dispersion problemBarati613622015/11/14 19:17
by Barati
studentYi Wang312142015/11/14 16:05
by Yi Wang
parallel running errorduan240972015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak013412015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 714932015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai011192015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang011992015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?M. Yamada314992015/10/18 00:35
by M. Yamada
NEGF convergenceArtem Pulkin013262015/10/02 18:28
by Artem Pulkin
View details for molecular dynamicsVasiliy St011702015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculationPang013232015/09/17 01:54
by Pang
Crystal Relaxation under PressureKhalid013222015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy stepsKuan Zhou216462015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang112832015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid214582015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid215392015/08/08 23:34
by Khalid

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