The size of wavefunction files (typically the largest) is determined by the number of k-points, plane waves, bands. If you do not need those files, you may specify "disk_io=none".
Paolo On Sat, Apr 21, 2018 at 7:02 AM, Rajneesh Chaurasiya <[email protected]> wrote: > Dear all, > > I did a NSCF calculation of 4*4 supercell of MoS2, and find out that it > occupied 650 GB memory. So it there any trick to minimize the storage limit > of files produced during nscf calculation. > > Thank you and waiting for your response. > > 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 > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
