[Pw_forum] On line DFT calculations
nand
rana_nand at yahoo.com
Fri Jun 11 19:58:53 CEST 2010
Hi,
I am trying to do some supercell calculations for Mn Doped GaAs. How ever my RAM is not sufficient and the time taken by these calculations too long for my PC. I would like to know if there is any online facility where i can do these large supercell calculations. Also can any one tell how much RAM is required for a 64 atom supercell calculations. Any other suugestion that can help.
Thanking you in advance.
Nand Kumar Rana
Ranchi University
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100611/287ac43e/attachment.html>
More information about the users
mailing list