[molpro-user] The limitation of SOC calculation?

Xinzheng Yang yangxinzheng at gmail.com
Wed Sep 14 20:53:46 BST 2005


Dear Molpro users,
 When I perform a spin-orbit coupling calculations with a large basis set, I 
always meet this problem:
  ?WARNING: TOO HIGH ADDRESS IN CORLSI: LT= 126481559 IBASE= 126261521 LTOP= 
126372191 MEMSTACK= 326261521
SYMMETRIES OF SO OPERATORS: 3 2 4
 But this calculation can be done with a smaller basis set.
 My Molpro is a 32-bit version. Does this problem can be solved by using a 
64-bit version?
 Thanks a lot.
-- 
Xinzheng Yang
1071 Clayton Ln, Apt. 1406
Austin, TX 78723
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