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	I need Blom's help Started by chenxin830107	1 Replies 7797 Views	November 25, 2011, 09:04 by Anders Blom
	TypeError: OptimizeGeometry() got an unexpected keyword argument 'max_forces' Started by chenxin830107	1 Replies 11360 Views	November 24, 2011, 13:55 by Anders Blom
	zone folding Started by aschenk	3 Replies 13945 Views	November 21, 2011, 09:59 by Anders Blom
	Band Structure is not correct Started by ramkrishna	2 Replies 9837 Views	November 20, 2011, 06:53 by ramkrishna
	The error about repeating previous PRL result. Started by postnikov « 1 2 »	21 Replies 48609 Views	November 18, 2011, 10:45 by Anders Blom
	the difference between graphene junction and nanoribbon with two electrodes Started by camelluxin	11 Replies 20933 Views	November 17, 2011, 08:49 by camelluxin
	About "Dropping the DeviceConfiguration with id gID002 onto the plot" Started by Will	2 Replies 8739 Views	November 16, 2011, 17:44 by Will
	About "The element XX is not supported for LCAOCalculator" Started by lrgresearch	1 Replies 7746 Views	November 15, 2011, 21:29 by Anders Blom
	How to export the structures in a xyz form Started by jerry	2 Replies 9407 Views	November 15, 2011, 15:50 by jerry
	Install problem in ATK 11.8.0 Started by jerry	4 Replies 9784 Views	November 15, 2011, 08:37 by jerry
	Surface geometry optimisation Started by aschenk	2 Replies 8635 Views	November 15, 2011, 08:05 by aschenk
	DFT calculations for two probe systems Started by jerry	7 Replies 14603 Views	November 11, 2011, 07:43 by jerry
	How can I interprete the result of Mulliken population analysis? Started by jjhskang	4 Replies 15597 Views	November 10, 2011, 10:17 by Anders Blom
	Convergence problem in 11.8b1 Started by BlackBarrel	6 Replies 13790 Views	November 5, 2011, 14:11 by Anders Blom
	Mulliken population Started by jerry	5 Replies 12001 Views	November 3, 2011, 15:51 by jerry
	band calculation of Fe FCC Started by jerry	1 Replies 7641 Views	October 31, 2011, 11:08 by Anders Blom
	electrochemical potentials of electrodes in two terminal device Started by jerry	2 Replies 10429 Views	October 30, 2011, 02:44 by jerry
	About the current of semiconductor nanotube Started by chp	3 Replies 25313 Views	October 28, 2011, 15:02 by chp
	How to set the spins of the right and left electrode atoms respectively? Started by albatross	7 Replies 19433 Views	October 28, 2011, 12:12 by Anders Blom
	Geometry setup of Metal-tube-metal junctions Started by perfetti	0 Replies 8355 Views	October 28, 2011, 01:24 by perfetti

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