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Topics Author Replies Views Last Modified
Question about setting up angles in non-collinear DFTHung-Yu Yang11322016/08/30 16:30
by T. Ozaki
scf band calculations for different number of layersRohit31442016/08/29 14:39
by T. Ozaki
openmx3.7 errorzahra11612016/08/25 23:10
by Riemann
openmx3.8 errorzahra01402016/08/25 21:38
by zahra
There is a rigid shift toward negative energy in the band structure of MoS2 monolayerNadia Salami11882016/08/22 12:50
by T. Ozaki
Release of OpenMX Viewer Ver. 1.0T. Ozaki02082016/08/20 01:34
by T. Ozaki
Projected band structureRiemann62582016/08/19 15:45
by Riemann
Projected Bandstructure with Unfolding MethodRiemann62452016/08/17 03:44
by Riemann
Error in making DosMainsaeid amjadian01512016/08/12 21:42
by saeid amjadian
question regarding to plot up-spin and down-spin bands in noncollinear DFT calculationsNadia Salami11862016/08/12 18:36
by T. Ozaki
STM by WSXMLida33832016/08/11 22:01
by T. Ozaki
Software for Density of state files ?Rohit11642016/08/10 16:01
by T. Ozaki
OpenMX3.8 installation problemYohei Ibe22122016/08/05 11:24
by Yohei Ibe
converting band file to GNUBAND,BANDDAT1 fileRG31472016/08/03 15:08
by T. Ozaki
version of intel compilerSung12002016/08/03 13:31
by T. Ozaki
Reduce timing of NEGF for AlHiroya Nakata11542016/08/02 17:15
by Artem Pulkin
problems with plotting the band structure.Rohit Goel11812016/07/29 16:23
by Rohit Goel
Band unfolding for supercells with additional atomsNikolai Zaitsev22052016/07/28 21:25
by Nikolai Zaitsev
Error in NEGFKeshav Raheja21742016/07/28 02:00
by Keshav Raheja
Incomplete NEGF run with correct transmission vs energy resultVipin Kumar31922016/07/26 19:42
by Artem Pulkin
Band Structure of Black phosphorousRohit Goel22102016/07/22 11:59
by Rohit Goel
PAOs of lead atoms can overlap only to the next nearest regionVipin Kumar102432016/07/18 20:18
by Vipin Kumar
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?Xiangyang Peng21872016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space HmiltonianRiemann33032016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtestPR22332016/07/07 23:34
by PR
runtest errorKazume NISHIDATE22182016/07/04 10:04
by T. Ozaki
Memory control in OpenMXArtem Pulkin11832016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZGuilherme Maia22082016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structureEike F. Schwier22092016/06/23 14:21
by Eike F. Schwier
How to deal with this errorLinus.Xing11692016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing11982016/06/23 13:39
by T. Ozaki
Exchange fieldRiemann11732016/06/23 13:37
by T. Ozaki
Different values for the Polarization for the same system!!Guilherme Maia12062016/06/23 13:21
by T. Ozaki
graphenSmart36752016/06/13 11:47
by Jane
The question about the output file of System.Name.mdXiangyang Peng42162016/06/08 01:10
by Xiangyang Peng
Openmx and mobilities and effective massesMosahhar11942016/06/05 11:25
by T. Ozaki
units in the band plotsPR11942016/06/05 11:22
by T. Ozaki
Using openmx with external pseudopotentialsDaniil133832016/06/05 00:11
by Daniil
Errors in installation of OpenMx3.7 and OpenMx3.8Hawson54772016/05/19 14:52
by T. Ozaki
How to calculate LaMnO3?Hiroya Nakata52712016/05/17 23:12
by hiroya
Question about Geometry Optimization Eike F. Schwier58302016/05/16 19:35
by Eike F. Schwier
gcc: errorAsadolla22832016/05/11 14:32
by asad
Release of OpenMX Ver. 3.8T. Ozaki54722016/05/06 10:56
by Mitsuaki Kawamura
Include spin orbit coupling but turn off magnetismHung-Yu Yang43172016/04/27 21:51
by Hung-Yu Yang
NPT molecular dynamicsWei Lai12192016/04/20 19:06
by T. Ozaki
Compilation error version 3.8Mauro Sgroi23262016/04/19 18:23
by Mauro Sgroi
bug in the ESM moduleYun-Peng Wang127282016/04/15 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 choudary32712016/04/08 18:29
by T. Ozaki
First Installation Error of Openmx-3.8Riemann23342016/04/05 05:49
by Riemann
Strangely Small Spin Moment in Material with Strong SOCKeenan12232016/04/03 20:15
by T. Ozaki

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