hello siesta user, i am using the nose MD calculation for liquid tin, with 120 atoms.... But the calculations are going really slow. Since siesta can made mainly for MD calculations, so the calculations must be fast. SIESTA able to do only 300 or 400 step in a whole day with 8 processors................. and i think it is really slow. Here i am using 100 Ry mesh cutoff.... which is too low....i have to use about 300 Ry. But then the calculations are more slower than that.............. Can anybody just look in the input file and suggest me what to modify to speed up the calculations................ i attached the sn.fdf file with that mail.
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sn.fdf
Description: 151130065-sn.fdf
