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q: charges? basis sets/potentials validation?Grigory217702006/11/18 22:59
by Grigory
Bug fixed in OpenMX3.1, No.2T.Ozaki015012006/11/17 00:44
by T.Ozaki
Initial spin charges question?Dung Tien219682006/11/15 22:38
by Dung Tien
Bug fixed in OpenMX3.1, No.1T.Ozaki015162006/11/13 15:45
by T.Ozaki
install problem for 3.1 versonLiger Chen114672006/11/10 18:26
by Liger Chen
Does B-Bop do DOS?Vasilii Artyukhov214002006/11/09 22:04
by Vasilii Artyukhov
the molecular orbitalXinyuan Zhang119022006/11/09 11:15
by T.Ozaki
DOS of hcp Gd metalDr. Xubo Liu021802006/11/06 03:34
by Dr. Xubo Liu
Magnetic moment in cubic SrRuO3JessK340712006/11/05 00:05
by T.Ozaki
Memory UsageKevin217842006/11/04 06:41
by JessK
non convergence calculation problem!sabri121202006/11/04 02:12
by T.Ozaki
OpenMX Ver.3.1 availableT.Ozaki013542006/11/04 01:48
by T.Ozaki
Velocities in MDPavel113242006/11/04 01:28
by T.Ozaki
DosMain question.Liger Chen115832006/11/04 01:26
by T.Ozaki
error while testing Methane.datKevin217452006/11/03 20:40
by Kevin
Polarization in BaTiO3jessK128982006/11/01 10:15
by T.Ozaki
LDA+U energyjessK218452006/10/18 23:06
by jessK
runtest problem in opteronh. Jeong115222006/10/12 23:56
by T.Ozaki
is it possible for plus diffuse orbital ?Liger Chen116682006/10/12 23:01
by T.Ozaki
Binding energy calculationK. Bart124152006/10/12 22:52
by T.Ozaki
error message ...p4_error: interrupt SIGSEGV: 11..Liger Chen173602006/10/12 22:36
by T.Ozaki
Transition state search on OpenMXDung Tien218082006/10/04 11:10
by Dung Tien
STM imagePavel114792006/10/03 23:23
by T.Ozaki
Segmentation Fault for openMX MPI version 3.0KC423332006/09/29 14:31
by T.Ozaki
Dr.Hyuk Soon Choi218022006/09/29 09:31
by Hyuk Soon Choi
scf converge problem Liger Chen220942006/09/26 16:01
by Liger Chen
Hard to converge for geometric optimizer.Xinyuan Zhang711112006/09/21 16:56
by Xinyuan
what is the meaning of the error warning ?Liger Cheb337602006/09/20 14:56
by Liger Chen
Calculation of Work Function with Yukihiro Okuno124692006/09/19 10:53
by T.Ozaki
B-BOPXinyuan Zhang117232006/09/19 10:41
by T.Ozaki
Help with NVT Si Bulk SimulationRavi M218732006/08/25 12:51
by Ravi M
Misschristine114292006/08/18 12:58
by T.Ozaki
memory issuesjessK115262006/08/11 09:10
by T.Ozaki
A unknown problemXinyuan Zhang115372006/08/11 09:02
by T.Ozaki
Tetrahedron method applicabilityVasilii Artyukhov118032006/08/11 09:00
by T.Ozaki
A question about basis setPeter Winey221162006/07/10 23:49
by Peter Winey
Forces and symmetryPeter Winey220022006/07/10 23:28
by Peter Winey
Database (2006) of PAO and VPS availableT.Ozaki218142006/06/30 23:54
by Peter Winey
Installation - undefined referenceJan121272006/06/27 23:11
by Jan
How to fix the fault of running large-scale systemGn. Plott115862006/06/16 11:32
by T.Ozaki
magnetic momentjessK317992006/06/14 11:30
by T.Ozaki
adpack1.8: first deriv. discont. of excited statesM. Gusso116882006/06/13 22:10
by T.Ozaki
adpack1.8: high grid.xmax parameterM. Gusso117352006/06/13 22:02
by T.Ozaki
Band, Cluster, and DC ?F Li116112006/06/13 21:50
by T.Ozaki
LBFGS optimizerjessK116162006/06/06 20:34
by T.Ozaki
K-point gridjessK118712006/06/06 10:46
by T.Ozaki
OpenMX in surface?JinLong115082006/05/31 18:29
by T.Ozaki
Running jobs in a directory other than "work"Peter Winey324252006/05/24 11:15
by T.Ozaki
Exception error with big systemJohn Tse116332006/05/19 11:52
by T.Ozaki
parallel questionsJeason121532006/05/12 10:44
by T.Ozaki

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