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Topics Author Replies Views Last Modified
Energy landscape discontinuitiesJure Varlec114902013/12/25 04:03
by T. Ozaki
Very difficult scf-convergence for NEGF calculationsyugd114632013/12/21 12:06
by yugd
light speed WenLiang_liu011112013/12/13 18:02
by WenLiang_liu
Wrong transmission yugd121652013/11/20 21:40
by yugd
Relativistic effectsCristian Morari214022013/11/01 19:39
by Cristian Morari
Transmission on a graphene sheet (a 2 dimensional system)yugd114282013/10/31 13:11
by T. Ozaki
makefile for sr16k machine in tokyoVikas Sharma113292013/10/23 18:00
by T. Ohwaki
Turning off MD calculationVijay Shankar 113872013/10/23 17:52
by T. Ozaki
Is the Hartree potential computed in parallel?Jlrch111472013/10/23 17:46
by T. Ozaki
MO output in spin orbital coupling caculationYS Siew112952013/10/23 17:42
by T. Ozaki
SCF problem!Javan1173482013/09/25 04:45
by JAVAN
problems on the geometry optimization of grapheneyugd365672013/09/18 08:51
by yugd
relation between scf.energycutoff and scf.Ngriddchrobak183042013/09/17 23:10
by T. Ozaki
my first impression of openmxyugd184602013/09/17 22:41
by T. Ozaki
Fock MatrixRuibin Liu113392013/09/17 22:32
by T. Ozaki
about scf.system.chargeN.Kolchenko19102013/09/05 05:08
by N.Kolchenko
Solutions for installation of OpenMX3.7 with MKL in linux64Daniel Coimbra840862013/09/04 14:06
by Somesh Bhattacharya
openmx3.7 installation on Cygwin?K. Kachrimanis923652013/09/03 11:47
by T.V.T. Duy
Patch 3.7.6 to OpenMX Ver. 3.7T. Ozaki013552013/09/01 14:47
by T. Ozaki
How to print out derivatives of individual H and S matrix elementsLK19772013/08/30 17:51
by T. Ozaki
Patch 3.7.5 to OpenMX Ver. 3.7T. Ozaki014332013/08/29 17:53
by T. Ozaki
openmx3.7Gary Washington111252013/08/23 21:52
by T. Ozaki
Difference in total energy between version 3.6 and 3.7Bob Schoeters214372013/08/02 16:53
by Bob Schoeters
Calculate energy with constrained magnitude of magnetic momentPui-Wai Ma111132013/08/01 22:28
by T. Ozaki
Non-local potential EXcluded from vo.cube and v1.cube: why? Leonardo Makinistian215082013/07/26 18:43
by Leonardo Makinistian
Patch 3.7.4 to OpenMX Ver. 3.7T. Ozaki214732013/07/26 13:23
by T. Ozaki
OPENMX 3.7 Installation problemKanagaraj C834932013/07/16 15:57
by Kanagaraj C
LCAOzahra110762013/07/11 17:48
by T. Ozaki
Cell parameter for DOS of metal oxide clustersanjeev112412013/07/03 17:02
by T. Ozaki
optical conductivity unitsPavelSerba220082013/07/01 15:36
by T. Ozaki
KS determinantRuibin Liu620902013/07/01 15:32
by T. Ozaki
2013 database completionMauri19362013/06/25 17:54
by T. Ozaki
install openmx 3.7 on debian wheezy H T W113042013/06/25 14:28
by T.V.T. Duy
problem on installation openmx 3.7 with patch 3 on debian wheezyMa112292013/06/25 14:18
by T.V.T. Duy
OpenMX-3.7 installation problem on Fedora 17 surender653962013/06/17 09:26
by T. Ozaki
Electronic Temperature in openmxRuibin Liu522992013/06/16 11:52
by T. Ozaki
Units on .vhart.cubeJose Eduardo Padilha19372013/06/13 09:06
by T. Ozaki
Installation ErrorDogan Erbahar116422013/06/07 17:24
by alireza
electric fieldRuibin Liu110532013/06/04 21:00
by T. Ozaki
Patch 3.7.3 to OpenMX Ver. 3.7T. Ozaki013772013/06/03 17:24
by T. Ozaki
Hybrid functional B3LYPRuibin Liu111362013/06/03 09:59
by T. Ozaki
openmx 3.7 on intel_64Denis Music543142013/05/31 14:29
by Denis Music
openmx3.7 Installation problemSH582392013/05/29 20:42
by Tamal Goswami
Patch 3.7.2 to OpenMX Ver. 3.7T. Ozaki012192013/05/29 17:37
by T. Ozaki
Patch 3.7.1 to OpenMX Ver. 3.7T. Ozaki09312013/05/27 14:56
by T. Ozaki
2013 database for heavy elementsJames110402013/05/24 20:47
by T. Ozaki
Release of OpenMX Ver. 3.7T. Ozaki07862013/05/23 12:02
by T. Ozaki
Exact exchange and hybrid functionalsMauro Sgroi211702013/05/16 23:15
by Mauro Sgroi
Can we specify the bias voltage applied to the left and right lead, respectively?Yasutaka Nishida213692013/05/16 19:17
by Yasutaka Nishida
How to compute the phonon dispersion by openmxT.Morshedloo011782013/04/30 17:34
by T.Morshedloo

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