Elk / News: Recent posts

Elk version 0.9.262 released

-changed the adaptive mixing algorithm back to older version, after extensive testing by F. Cricchio
-upgraded to LAPACK 3.2.1 (Elk is still compatible with all LAPACK 3.x versions)
-improved the ELNES code: now more accurate and runs at least 10 times faster
-added new input variable emaxelnes which is the maximum allowed initial-state energy used when calculating the ELNES cross-section
-added/modified several ELNES examples (cubic BN, fcc Cu and Pu)
-removed the input variable spfname from the Spacegroup code since it is unnecessary
-added new input variable epsband, which allows the tolerance of the band energy search to be set
-reduced the band energy search tolerance from 10-5 to 10-6, which should improve energy convergence
-added new task (14) which plots the smooth Dirac delta and Heaviside step functions used by the code to calculate occupancies
-improved speed and simplicity of code in several areas
-added two new test cases
Notes for developers
-routine genbeffmt must be called before calling seceqn

Posted by John Kay Dewhurst 2009-04-24

Elk version 0.9.256 released

Dear All,

Development of the current edition of the EXCITING FP-LAPW code has ended and instead will continue with the Elk code. Notification of new releases, features and bugs in the Elk code will be sent to both the old EXCITING and new Elk mailing lists. Forum activity is now suspended for EXCITING but is available for Elk.

Elk version 0.9.256 is available from http://elk.sourceforge.net/

This version is considerably faster and now contains a full test suite.... read more

Posted by John Kay Dewhurst 2009-03-26