[molpro-user] explicit input / basis and ECP / part 2

Martin Korth mkorth at muenster.de
Mon Apr 23 16:10:53 BST 2007


Sorry, I missed to copy and paste the first line of the ECP input:
Martin

basis={
ECP,c,2,1;
3;
1,5.9934390,4.0000000;3,5.9934390,23.9737550;2,5.8442320,-21.7569350;
2;
2,5.7204890,29.2956550;4,4.8029410,-2.0625530;
[...]
}

NOT
basis={
3;
1,5.9934390,4.0000000;3,5.9934390,23.9737550;2,5.8442320,-21.7569350;
2;
2,5.7204890,29.2956550;4,4.8029410,-2.0625530;
[...]
}



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