Filename |
Description |
Format |
Position |
Input/output |
$BDFTASK.chkfil |
Global variables |
Binary |
WORKDIR |
Input/Output |
$BDFTASK.int1e |
AO One-electron integrals. |
Binary |
TMPDIR |
Output |
$BDFTASK.int2e |
Two-electron integrals. |
Binary |
TMPDIR |
Output |
$BDFTASK.intscr |
Scratch file to save two-electon integrals. Only used in symmetry-adapted integrals(Saorb) |
Binary |
TMPDIR |
Output |
$BDFTASK.k2int |
K2 loop integrals. Used in direct-SCF. |
Binary |
TMPDIR |
Output |
$BDFTASK.int2ee |
Range-seprated 2e integrals used in RS hybrid functional |
Binary |
TMPDIR |
Output |