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how to set temperature in input file?
Mahesh Bhatt
mbhatt54@yahoo.com
Hi all,
I want to calculate the energy of ethylene carbonate molecule (melting point = 36 degree celsius) at T=0K and T=400K. But I dont know how to set these temperature parameters in input file. I tried to find clues in manual and discussion forum previous answers, but I am unable to find. Please tell me how to set parameter for temperature in input file?
For example, in ab initio molecular dynamics simulation using vasp dft code, we can set TMPBEG and TMPEND for initial and final temperature in incar file.
Regards
Mahesh Bhatt
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Tue Nov 16 '10 8:50am
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