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Topics Author Replies Views Last Modified
Can openMX simulate few layer grapheneJohn Chen111112016/08/30 18:15
by Artem Pulkin
the question of bandgap and covalent bond John Chen412102016/08/30 17:18
by John Chen
Question about setting up angles in non-collinear DFTHung-Yu Yang19392016/08/30 16:30
by T. Ozaki
scf band calculations for different number of layersRohit39852016/08/29 14:39
by T. Ozaki
openmx3.7 errorzahra114862016/08/25 23:10
by Riemann
openmx3.8 errorzahra010802016/08/25 21:38
by zahra
There is a rigid shift toward negative energy in the band structure of MoS2 monolayerNadia Salami112182016/08/22 12:50
by T. Ozaki
Release of OpenMX Viewer Ver. 1.0T. Ozaki013722016/08/20 01:34
by T. Ozaki
Projected band structureRiemann627262016/08/19 15:45
by Riemann
Projected Bandstructure with Unfolding MethodRiemann618682016/08/17 03:44
by Riemann
Error in making DosMainsaeid amjadian09862016/08/12 21:42
by saeid amjadian
question regarding to plot up-spin and down-spin bands in noncollinear DFT calculationsNadia Salami112202016/08/12 18:36
by T. Ozaki
STM by WSXMLida318182016/08/11 22:01
by T. Ozaki
Software for Density of state files ?Rohit19782016/08/10 16:01
by T. Ozaki
OpenMX3.8 installation problemYohei Ibe213562016/08/05 11:24
by Yohei Ibe
converting band file to GNUBAND,BANDDAT1 fileRG312582016/08/03 15:08
by T. Ozaki
version of intel compilerSung110232016/08/03 13:31
by T. Ozaki
Reduce timing of NEGF for AlHiroya Nakata111662016/08/02 17:15
by Artem Pulkin
problems with plotting the band structure.Rohit Goel113582016/07/29 16:23
by Rohit Goel
Band unfolding for supercells with additional atomsNikolai Zaitsev212532016/07/28 21:25
by Nikolai Zaitsev
Error in NEGFKeshav Raheja212712016/07/28 02:00
by Keshav Raheja
Incomplete NEGF run with correct transmission vs energy resultVipin Kumar314082016/07/26 19:42
by Artem Pulkin
Band Structure of Black phosphorousRohit Goel211592016/07/22 11:59
by Rohit Goel
PAOs of lead atoms can overlap only to the next nearest regionVipin Kumar1014472016/07/18 20:18
by Vipin Kumar
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?Xiangyang Peng26042016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space HmiltonianRiemann314672016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtestPR213082016/07/07 23:34
by PR
runtest errorKazume NISHIDATE216292016/07/04 10:04
by T. Ozaki
Memory control in OpenMXArtem Pulkin111302016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZGuilherme Maia212152016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structureEike F. Schwier212512016/06/23 14:21
by Eike F. Schwier
How to deal with this errorLinus.Xing110222016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing111242016/06/23 13:39
by T. Ozaki
Exchange fieldRiemann112682016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!Guilherme Maia110422016/06/23 13:21
by T. Ozaki
graphenSmart328942016/06/13 11:47
by Jane
The question about the output file of System.Name.mdXiangyang Peng411802016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective massesMosahhar19612016/06/05 11:25
by T. Ozaki
units in the band plotsPR110502016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentialsDaniil1318422016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8Hawson519992016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?Hiroya Nakata512362016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier521822016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla214542016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki516542016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang417562016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai110372016/04/20 19:06
by T. Ozaki
Compilation error version 3.8Mauro Sgroi214532016/04/19 18:23
by Mauro Sgroi
bug in the ESM moduleYun-Peng Wang139202016/04/15 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 choudary311852016/04/08 18:29
by T. Ozaki

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