[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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