N.B., you are probably using a unreasonable number k-points and unreasonable convergence parameters.. Changes in the energy with k-points of 0.1mRyd have no significance.
--- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University http://www.numis.northwestern.edu Corrosion in 4D http://MURI4D.numis.northwestern.edu Co-Editor, Acta Cryst A "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi On Nov 17, 2015 20:47, "Laurence Marks" <laurence.ma...@gmail.com> wrote: > If you are trying to converge a calculation with many k-points, there is > nothing you can do. > > If you are just trying to run lapw1 you can edit the definition file so > instead of going to case.vector it goes to /dev/null, for instance. (Don't > set SCRATCH as /dev/null, that is a sin.) > > x lapw1 -d > edit lapw1.def > lapw1 lapw1.def > > Be aware that you won't be able to do much after this, all you will have > is the case.scf1 and output files which you will need to edit to find what > you want. > > Or buy a USB drive. > > --- > Professor Laurence Marks > Department of Materials Science and Engineering > Northwestern University > http://www.numis.northwestern.edu > Corrosion in 4D http://MURI4D.numis.northwestern.edu > Co-Editor, Acta Cryst A > "Research is to see what everybody else has seen, and to think what nobody > else has thought" > Albert Szent-Gyorgi > On Nov 17, 2015 20:31, "Yundi Quan" <quanyu...@gmail.com> wrote: > >> Is it possible to turn off writing the vector file in the scf run? I'm >> trying to do a calculation with very fine k-mesh. But the disk space of my >> computer is limited. >> >> >> Thanks. >> >> >>
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