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Topics Author Replies Views Last Modified
PAOs for anionsDaniil112192016/10/16 22:09
by T. Ozaki
DIIS geometry optimizationNikhil214782016/10/16 21:55
by T. Ozaki
Bychkov-Rashba effect is dependent on the relative position of the system in the cell Dubois S.213872016/10/16 21:45
by T. Ozaki
alignment of band structure with vaccum levelRenato Borges Pontes212702016/10/16 19:03
by T. Ozaki
magnetic anisotropy energy calculated seems wrong!Shekoufe Khosravi214512016/10/16 19:01
by T. Ozaki
error on make TranMain with Ubuntu 14.04 LTSDiego013292016/10/05 07:00
by Diego
error on make DosMain with Ubuntu 14.04 LTSDiego012892016/10/05 06:57
by Diego
How Generate TranMain and DosMain package on OpenMX on Ubuntu 14.04 LTS?Diego Castillo V.012442016/10/04 03:27
by Diego Castillo V.
NEGF Calculation HangingPeter212872016/10/03 20:21
by Peter
Installation Manual of OpenMX 3.7.6-1 on Linux (Ubuntu 14.04 LTS)Diego Castillo033342016/09/29 03:25
by Diego Castillo
Installation Problem OpenMX 3.7Diego Castillo214422016/09/29 02:59
by Diego Castillo
Convergence Issue: Very High Value of UeleNikhil216312016/09/22 13:40
by Nikhil
installation error 3.8pavan choudary011072016/09/20 16:58
by pavan choudary
Installation 3.8Krishna213592016/09/10 19:06
by Krishna
Exchange coupling parameter program (jx)Joao Amaral622942016/09/06 16:58
by Hongkee Yoon
Error points in Band Structure of SrVO3Priya Dey114362016/09/04 21:05
by T. Ozaki
MBJLDASehoon Oh114642016/09/02 12:06
by T. Ozaki
Can openMX simulate few layer grapheneJohn Chen113822016/08/30 18:15
by Artem Pulkin
the question of bandgap and covalent bond John Chen414952016/08/30 17:18
by John Chen
Question about setting up angles in non-collinear DFTHung-Yu Yang111742016/08/30 16:30
by T. Ozaki
scf band calculations for different number of layersRohit312232016/08/29 14:39
by T. Ozaki
openmx3.7 errorzahra118622016/08/25 23:10
by Riemann
openmx3.8 errorzahra013262016/08/25 21:38
by zahra
There is a rigid shift toward negative energy in the band structure of MoS2 monolayerNadia Salami114722016/08/22 12:50
by T. Ozaki
Release of OpenMX Viewer Ver. 1.0T. Ozaki016212016/08/20 01:34
by T. Ozaki
Projected band structureRiemann633062016/08/19 15:45
by Riemann
Projected Bandstructure with Unfolding MethodRiemann622642016/08/17 03:44
by Riemann
Error in making DosMainsaeid amjadian012132016/08/12 21:42
by saeid amjadian
question regarding to plot up-spin and down-spin bands in noncollinear DFT calculationsNadia Salami114502016/08/12 18:36
by T. Ozaki
STM by WSXMLida321772016/08/11 22:01
by T. Ozaki
Software for Density of state files ?Rohit112162016/08/10 16:01
by T. Ozaki
OpenMX3.8 installation problemYohei Ibe216122016/08/05 11:24
by Yohei Ibe
converting band file to GNUBAND,BANDDAT1 fileRG315622016/08/03 15:08
by T. Ozaki
version of intel compilerSung112362016/08/03 13:31
by T. Ozaki
Reduce timing of NEGF for AlHiroya Nakata114192016/08/02 17:15
by Artem Pulkin
problems with plotting the band structure.Rohit Goel116492016/07/29 16:23
by Rohit Goel
Band unfolding for supercells with additional atomsNikolai Zaitsev215192016/07/28 21:25
by Nikolai Zaitsev
Error in NEGFKeshav Raheja215992016/07/28 02:00
by Keshav Raheja
Incomplete NEGF run with correct transmission vs energy resultVipin Kumar317872016/07/26 19:42
by Artem Pulkin
Band Structure of Black phosphorousRohit Goel213752016/07/22 11:59
by Rohit Goel
PAOs of lead atoms can overlap only to the next nearest regionVipin Kumar1017912016/07/18 20:18
by Vipin Kumar
Do the molecular orbitals obtained by openmx include the factor exp(ikr)?Xiangyang Peng28372016/07/14 18:25
by Xiangyang Peng
Phosphorene Real Space HmiltonianRiemann317382016/07/11 22:11
by Artem Pulkin
openmx 3.8 -runtest vs. openmx 3.7.10 -runtestPR216052016/07/07 23:34
by PR
runtest errorKazume NISHIDATE219312016/07/04 10:04
by T. Ozaki
Memory control in OpenMXArtem Pulkin113992016/07/04 09:58
by T. Ozaki
About MD.Fixed.XYZGuilherme Maia215202016/06/26 05:35
by Guilherme Maia
MP vs regular k-mesh - difference in band structureEike F. Schwier215542016/06/23 14:21
by Eike F. Schwier
How to deal with this errorLinus.Xing112982016/06/23 13:44
by T. Ozaki
is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8Linus.Xing113762016/06/23 13:39
by T. Ozaki

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