[Wien] lapw1 and missing vector file
Michael Gurnett
michael.gurnett at kau.se
Sun Dec 7 03:24:56 CET 2003
Iäm getting an error in the first run of an scf cycle as soon as the program gets to lapws1. It is
'INILPW' - can't open unit: 10
'INILPW' - filename: workdir/Li_Ge3x1_smallergap.vector
'INILPW' - status: unknown form: unformatted
'LAPW1' - INILPW aborted unsuccessfully.
I thought lapw1 was meant to generate the vector file, so why is it looking for it I looked in the lapw1.def file which looks like
4,'Li_Ge3x1_smallergap.klist', 'unknown','formatted',0
5,'Li_Ge3x1_smallergap.in1c', 'old', 'formatted',0
6,'Li_Ge3x1_smallergap.output1','unknown','formatted',0
10,'workdir/Li_Ge3x1_smallergap.vector', 'unknown','unformatted',9000
11,'Li_Ge3x1_smallergap.energy', 'unknown','formatted',0
18,'Li_Ge3x1_smallergap.vsp', 'old', 'formatted',0
19,'Li_Ge3x1_smallergap.vns', 'unknown','formatted',0
20,'Li_Ge3x1_smallergap.struct', 'old', 'formatted',0
21,'Li_Ge3x1_smallergap.scf1', 'unknown','formatted',0
55,'Li_Ge3x1_smallergap.vec', 'unknown','formatted',0
71,'Li_Ge3x1_smallergap.nsh', 'unknown','formatted',0
97,'workdir/Li_Ge3x1_smallergap.nohns', 'unknown','formatted',9000
Why do 10 and 97 have workdir/ in the beginning.
Can anyone explain this problem to me
Thanks
Michael
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