Dear postnikov, Thank you for your reply.We 'll try your advices . Best regards, Kemal Colakoglu ----- Original Message ----- From: "Andrei Postnikov" <[EMAIL PROTECTED]> To: <SIESTA-L@LISTSERV.UAM.ES> Sent: Tuesday, May 10, 2005 2:13 PM Subject: Re: [SIESTA-L] variation of lattice constants
On Tue, 10 May 2005, [iso-8859-9] Prof.Dr. Kemal ÇOLAKO^^LU wrote: | Dear Siesta users and developers, | We would like to see the pressure -dependence of elastic constansts on some semiconductors.But for this, firstly we need to calculate the pressure -dependence of lattice constants using Siesta.How can we enter the pressure to see the effect on energy ? Dear Kemal, you need to set MD.TargetPressure in combination with MD.VariableCell T Good luck, Andrei Postnikov +-- Dr. habil. Andrei Postnikov ----- Tel. +49-541-969.2377 -- Fax .2351 ---+ | Institut fuer Festkoerperforschung - FZ Juelich, D-52425 Juelich, Germany | +-- [EMAIL PROTECTED] --------- http://www.home.uni-osnabrueck.de/apostnik/ --+
