[Wien] what should be the best configuration of the system for DFT calculation of ceramics and polymers

[shamik chakrabarti]

Dear Peter Blaha Sir and wien2k users,

                                                         We want to do DFT
calculation by wien2k for around *250 atoms/super cell* and we *also want to
do simulation of polymer through* *material studio*. My question is what
should be the best possible configuration for a server (computer) which can
serve this purpose?.....we initially do not want clusterring of many nodes
rather we want a compact server which will contain say atleast 2 quad core
processors. In terms of configuration we mainly need:

(1) How many quad core processors we should use? (if it is possible to use
more than 2 quad core processor in a compact server!)
(2) If possible please suggest the name of the processor which can serve our
purpose the best ( Example: Intel Xeon Processor W3520, 2.66 GHz)
(3) What should be the RAM we should be opted for?
(4) Is there any other requirements except the above mentioned things we
should consider?

Any response will be very helpful for us. Thanks in advance.

with best regards,

-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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