Masoud Nahali
masoudnahali@gmail.com
when I add the following lines to my input file the calculation stops after a while and cannot continue but still uses CPUs.
$CUBE mesh=fine $END
$ELDENS IEDEN=1 spind=.t. $END
$ELPOT IEPOT=1 $END
stops at the following line :
---------------------
ELECTROSTATIC MOMENTS
---------------------
POINT 1 X Y Z (BOHR) CHARGE
-0.368365 -2.841257 -0.191486 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
attached you can find the input and output files.
I appreciate any help to solve the issue in advance.
Sincerely Yours
Masoud
This message contains the 355 kb attachment [ V.zip ] |