[Wien] error in DOS

abderrazek khireddine aalarrkh at gmail.com
Mon Dec 21 21:29:40 CET 2020


Hi,
When calculating DOD, sometimes i facing a following problem:
for Commandline:
*x tetra -p *

 covered volume (%)  0.000000000000000E+000
 LEGAL END TETRA
3.8u 0.0s 0:03.91 99.4% 0+0k 0+248io 0pf+0w

Here all values are zero
or

covered volume (%)   100.000000000000
 LEGAL END TETRA
4.3u 0.0s 0:04.41 100.0% 0+0k 0+296io 0pf+0w

but it calculate only total DOS, although the input is :
total 1 tot,s,p,d 2 tot,s,p,d 3 tot,s,p,d 4 tot,s,p,d 5 tot,s,p,d
best regards.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20201221/a44edf4f/attachment.htm>


More information about the Wien mailing list