Dear Paolo, information needed are listed below. Zval (Mo) = 14 and Zval (S) = 6 total number of K points = 301 number of bands = 500, number of plane waves = 158472 number of g vector = 3335797
Thank you. On Wed, Apr 25, 2018 at 5:12 PM, Rajneesh Chaurasiya <[email protected]> wrote: > Dear All, > > I did a calculation of 4*4 super cell of MoS2 in the order of scf, nscf > and then band. and in the final i found that size of directory is around > 1.3TB. How i minimize storage of data. because it is not possible to have > such a huge memory. > Is there any way how to do that. disk_io is the one option but its is > possible to restart the job if interrupted suddenly. > > Thank you > > > On Sat, Apr 21, 2018 at 10:28 AM, Rajneesh Chaurasiya < > [email protected]> wrote: > >> Dear, >> >> I did a NSCF calculation of 4*4 supercell of MoS2, >> >> -- >> Thanks & Regards >> Rajneesh Chaurasiya >> Research Scholar >> IIT Jodhpur, India >> Mob. No. +91-9584499697 >> +91-7610950803 >> > > > > -- > Thanks & Regards > Rajneesh Chaurasiya > Research Scholar > IIT Jodhpur, India > Mob. No. +91-9584499697 > +91-7610950803 > -- Thanks & Regards Rajneesh Chaurasiya Research Scholar IIT Jodhpur, India Mob. No. +91-9584499697 +91-7610950803
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