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Topics Author Replies Views Last Modified
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?Xiangyang Peng29872016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space HmiltonianRiemann318972016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtestPR217432016/07/07 23:34
by PR
runtest errorKazume NISHIDATE220892016/07/04 10:04
by T. Ozaki
Memory control in OpenMXArtem Pulkin115522016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZGuilherme Maia217092016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structureEike F. Schwier217312016/06/23 14:21
by Eike F. Schwier
How to deal with this errorLinus.Xing114452016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing115222016/06/23 13:39
by T. Ozaki
Exchange fieldRiemann116712016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!Guilherme Maia114252016/06/23 13:21
by T. Ozaki
graphenSmart334602016/06/13 11:47
by Jane
The question about the output file of System.Name.mdXiangyang Peng416852016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective massesMosahhar113582016/06/05 11:25
by T. Ozaki
units in the band plotsPR114632016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentialsDaniil1324532016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8Hawson5106722016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?Hiroya Nakata516292016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier528162016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla218762016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki520922016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang422442016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai114982016/04/20 19:06
by T. Ozaki
Compilation error version 3.8Mauro Sgroi219582016/04/19 18:23
by Mauro Sgroi
bug in the ESM moduleYun-Peng Wang143192016/04/15 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 choudary315942016/04/08 18:29
by T. Ozaki
First Installation Error of Openmx-3.8Riemann218342016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOCKeenan115352016/04/03 20:15
by T. Ozaki
Polarization by Berry's phaseGuilherme Maia215572016/03/29 02:19
by Guilherme Maia
How to unify optimized PAO files?Yi Wang214932016/03/15 16:16
by Yi Wang
Convergence problem for NEGF self consistent loop of Fe/MgO/Fe systemHiroshi Tsukahara222132016/03/15 13:56
by T.Ozaki
how to know about stable structuresanjeev115102016/03/15 13:35
by T.Ozaki
Young’s modulussmart114352016/03/15 13:28
by T.Ozaki
Transport calculation not convergingSamuel217182016/03/10 18:56
by Artem Pulkin
OpenMx's Method of Avoiding Local Trap of Spin ConfigurationJong Hyun Jung115602016/02/17 16:27
by Jong Hyun Jung
K-dependent EigenstateRiemann215992016/02/12 01:55
by Riemann
Calculating PDOSSeungjin Kang115752016/02/05 19:50
by Artem Pulkin
Quantization axis for Wannier function?Seungjin Kang114312016/01/18 20:51
by Artem Pulkin
error installation openMx version 3.6Moh. Adhib Ulil Abso018742015/12/18 12:57
by Moh. Adhib Ulil Abso
How to calculate scf of BaTiO3 ?Dr.Luo217572015/12/18 00:37
by Bingcheng Luo
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 219442015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek115562015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet320002015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno014302015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl016052015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu014342015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati114562015/11/29 20:44
by duan
magnetic field calculationhui fu219922015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati014942015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati013572015/11/22 04:12
by Barati

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