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	How to initialize an optimization calculation using elec.dens. of another calc.? Started by duygu	4 Replies 4404 Views	February 17, 2009, 12:47 by duygu
	Warning: invalid value encountered in double_scalars Started by wring	1 Replies 42247 Views	February 19, 2009, 16:45 by Anders Blom
	some questions about the electrode Started by Roc	4 Replies 4238 Views	February 20, 2009, 02:12 by Roc
	Problem with values of drain current obtained at a certain range of gate voltage Started by yz	2 Replies 3334 Views	February 20, 2009, 07:24 by yz
	How to improve the accuracy of the results? Started by yangzw1985	8 Replies 6458 Views	February 20, 2009, 11:57 by yangzw1985
	about E and E-Ef Started by yangzw1985	1 Replies 4570 Views	February 20, 2009, 14:40 by Anders Blom
	Check parallel performance Started by Derek Stewart	5 Replies 4887 Views	February 21, 2009, 18:15 by Anders Blom
	calculate time Started by yangzw1985	1 Replies 2750 Views	February 23, 2009, 10:29 by Anders Blom
	Does central region periodic? Started by tigeryzz	1 Replies 2804 Views	February 23, 2009, 10:33 by Anders Blom
	some questions about Gate Voltage Started by Roc	2 Replies 3135 Views	February 24, 2009, 10:39 by Anders Blom
	how to choose the eigenstates in the vnl plot Started by bxu4	5 Replies 4445 Views	February 24, 2009, 13:37 by Anders Blom
	calculateProjectedHamiltonianEigenstates Started by vboyz	1 Replies 2849 Views	February 27, 2009, 10:49 by Anders Blom
	Questions about MullikenPopulation Started by vboyz	4 Replies 3918 Views	March 2, 2009, 06:54 by Anders Blom
	About the molecular unit cell!! Started by hhspace	1 Replies 2838 Views	March 4, 2009, 09:12 by Nordland
	boundary conditions Started by yangzw1985	11 Replies 6412 Views	March 6, 2009, 10:55 by Anders Blom
	jumbled transmission output Started by Derek Stewart	2 Replies 3125 Views	March 6, 2009, 20:45 by Derek Stewart
	the error about the IterationControlParameters.DensityMatrix Started by Roc	7 Replies 4675 Views	March 7, 2009, 01:28 by Roc
	Is the current value resonable? Started by kevin	5 Replies 4480 Views	March 8, 2009, 10:50 by kevin
	Lattice vectors and lattice constant of electrode and scattering region Started by carbn9	2 Replies 3115 Views	March 12, 2009, 07:39 by carbn9
	How to continue a calculation? Started by yangzw1985	5 Replies 3879 Views	March 12, 2009, 14:59 by Nordland

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