[Wien] Wien 2K Startup
Malik
malik at dps.uibk.ac.at
Wed Nov 29 13:34:42 CET 2006
Hi all,
During the run_lapw phase the whole scf cycle is repeated a number of
times. how do we calculate the iterations if we perform the process
manualy just by calling the binaries.
After i completed the one iteration of the commands,
lapw0, lapw1, lapw2, lcore, and mixer
i got the following scf files
-rw-r--r-- 1 malik dps* 0 Nov 29 13:24 atype.scf*
-rw-r--r-- 1 malik dps 5995 Nov 29 13:13 atype.scf0
-rw-r--r-- 1 malik dps 2966 Nov 29 13:23 atype.scf1
-rw-r--r-- 1 malik dps 4251 Nov 29 13:24 atype.scf2
-rw-r--r-- 1 malik dps 1659 Nov 29 13:24 atype.scfc
-rw-r--r-- 1 malik dps 1790 Nov 29 13:26 atype.scfdm
-rw-r--r-- 1 malik dps 1234 Nov 29 13:24 atype.scfm
-rw-r--r-- 1 malik dps 127 Nov 29 13:15 atype.scforb
You can see the atype.scf file has a size 0 what is the reason for that.
is it normal or i just missed something.
many thanks in anticipation.
best regards,
Malik
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