[Wien] convergence problem
Thomas.Block at hgst.com
Thomas.Block at hgst.com
Tue Jan 20 03:42:46 CET 2004
Dear Wien-users,
I want to calculate the bandstructure of a primitive cubic alloy, but it's
not converging (oscillating).
I got some ideas from the UG and the mail-list archive:
1. smaller broyden factor
2. increase RKmax
Do you have other suggestions ?
Thanks
Thomas
Dr. Thomas Block
Hitachi Global Storage Technologies
San Jose Research Center K68A/C3-430
650 Harry Rd, San Jose CA 95120
phone: 1 408 323 7394 fax: 1 408 323 7010
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