[CPMD-list] linear response calculation

Salomon Billeter ZRLSRB at ch.ibm.com
Mon Feb 7 12:33:55 CET 2005


Hi,

appended is the promised bug fix to make the default automatic LR
wavefunction optimizer work as well. It works for some test systems, but
there might be more bugs.

Best regards,
Salomon

(See attached file: opt_lr.F.patch)(See attached file: lr_upd.F.patch)
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