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Optimised ZnO (1010) nonpolar surfaceMoh. Adhib Ulil Abso335082014/02/20 12:13
by Moh Adhib Ulil Abso
Patch 3.7.8 to OpenMX Ver. 3.7T. Ozaki027492014/02/17 12:16
by T. Ozaki
Current in *.current file from NEGFJ124822014/02/07 15:35
by T. Ozaki
Running openMX on Cray XC30 Yu Xie224712014/02/07 04:43
by Yu Xie
unit of cube fileJ347492014/01/31 23:32
by J
Patch 3.7.7 to OpenMX Ver. 3.7T. Ozaki056262014/01/31 17:40
by T. Ozaki
Kohn Sham energy levels and Hartree potentialLe The Anh960822014/01/29 18:34
by Le The Anh
Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira166992014/01/28 09:47
by T. Ozaki
pseudopotential for positive charged atomsJT124692014/01/28 09:44
by T. Ozaki
Mr.Yu Xie174792014/01/24 02:25
by Yu Xie
My first postImeldran019322013/12/27 02:21
by Imeldran
charge density in a given energy rangeJ224782013/12/25 12:56
by J
light speed in the codeWenLiang_liu128082013/12/25 04:21
by T. Ozaki
<RF> ERROR, aborting yugd121762013/12/25 04:16
by T. Ozaki
Atom projected band structureEike Schwier123772013/12/25 04:13
by T. Ozaki
Stress calculationSomesh Bhattacharya121892013/12/25 04:11
by T. Ozaki
I(V) for graphene ribbonPeter122372013/12/25 04:09
by T. Ozaki
Energy landscape discontinuitiesJure Varlec124122013/12/25 04:03
by T. Ozaki
Very difficult scf-convergence for NEGF calculationsyugd124152013/12/21 12:06
by yugd
light speed WenLiang_liu019602013/12/13 18:02
by WenLiang_liu
Wrong transmission yugd134122013/11/20 21:40
by yugd
Relativistic effectsCristian Morari223122013/11/01 19:39
by Cristian Morari
Transmission on a graphene sheet (a 2 dimensional system)yugd123532013/10/31 13:11
by T. Ozaki
makefile for sr16k machine in tokyoVikas Sharma122092013/10/23 18:00
by T. Ohwaki
Turning off MD calculationVijay Shankar 124402013/10/23 17:52
by T. Ozaki
Is the Hartree potential computed in parallel?Jlrch120572013/10/23 17:46
by T. Ozaki
MO output in spin orbital coupling caculationYS Siew122272013/10/23 17:42
by T. Ozaki
SCF problem!Javan1182422013/09/25 04:45
by JAVAN
problems on the geometry optimization of grapheneyugd379612013/09/18 08:51
by yugd
relation between scf.energycutoff and scf.Ngriddchrobak197352013/09/17 23:10
by T. Ozaki
my first impression of openmxyugd193802013/09/17 22:41
by T. Ozaki
Fock MatrixRuibin Liu122362013/09/17 22:32
by T. Ozaki
about scf.system.chargeN.Kolchenko118262013/09/05 05:08
by N.Kolchenko
Solutions for installation of OpenMX3.7 with MKL in linux64Daniel Coimbra861242013/09/04 14:06
by Somesh Bhattacharya
openmx3.7 installation on Cygwin?K. Kachrimanis938182013/09/03 11:47
by T.V.T. Duy
Patch 3.7.6 to OpenMX Ver. 3.7T. Ozaki022072013/09/01 14:47
by T. Ozaki
How to print out derivatives of individual H and S matrix elementsLK119172013/08/30 17:51
by T. Ozaki
Patch 3.7.5 to OpenMX Ver. 3.7T. Ozaki023412013/08/29 17:53
by T. Ozaki
openmx3.7Gary Washington119952013/08/23 21:52
by T. Ozaki
Difference in total energy between version 3.6 and 3.7Bob Schoeters225122013/08/02 16:53
by Bob Schoeters
Calculate energy with constrained magnitude of magnetic momentPui-Wai Ma120772013/08/01 22:28
by T. Ozaki
Non-local potential EXcluded from vo.cube and v1.cube: why? Leonardo Makinistian226042013/07/26 18:43
by Leonardo Makinistian
Patch 3.7.4 to OpenMX Ver. 3.7T. Ozaki224792013/07/26 13:23
by T. Ozaki
OPENMX 3.7 Installation problemKanagaraj C856262013/07/16 15:57
by Kanagaraj C
LCAOzahra119742013/07/11 17:48
by T. Ozaki
Cell parameter for DOS of metal oxide clustersanjeev121502013/07/03 17:02
by T. Ozaki
optical conductivity unitsPavelSerba234062013/07/01 15:36
by T. Ozaki
KS determinantRuibin Liu631462013/07/01 15:32
by T. Ozaki
2013 database completionMauri118562013/06/25 17:54
by T. Ozaki
install openmx 3.7 on debian wheezy H T W122542013/06/25 14:28
by T.V.T. Duy

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