[Wien] error in init phonon lapw calculations with 3x3x3 supercell
Chandrika
rcais at cal3.vsnl.net.in
Mon Jul 31 08:17:17 CEST 2006
Hello Wien users,
I am working with a SiC supercell (3 X 3 X 3)constructed with 'Phonon'. After I transferred the .d45 file to Wien and ran init_phonon_lapw I get an error message after dstart that says
fortrl : severe (41): insufficient virtual memory.
The super cell has 216 atoms.
RMT*Kmax = 3.7;
RMT =1.76;
k points =2
plane waves generated = 711879.
My system is P IV, has 2GB RAM and a swap space of 5000 MB. Stack size unlimit has also been done.
Calculations with a smaller supercell (2 X 2 X 2) works fine.
Any suggestions on how to resolve this problem will be most appreciated.
Thank you for your help.
Chandrika
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060731/3e1c046b/attachment.html
More information about the Wien
mailing list