[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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