[Wien] lapw0 error
Michael Gurnett
michael.gurnett at kau.se
Mon Oct 24 10:38:20 CEST 2005
I'm trying to run a calculation that has previously worked. I've only
increased GMax to 20 (I have H atoms). However, I've run dstart 3 times now
an it seems to end fine, but as soon as I start the SCF I get the following
error
forrtl: severe (64): input conversion error, unit 8, file
/home/dftuser/Wien2k/sqrt3_large/sqrt3_large.clmsum
Image PC Routine Line Source
lapw0 080E3300 Unknown Unknown Unknown
lapw0 080E1ED8 Unknown Unknown Unknown
lapw0 080C044B Unknown Unknown Unknown
lapw0 0809991C Unknown Unknown Unknown
lapw0 08099E3B Unknown Unknown Unknown
lapw0 080AA97E Unknown Unknown Unknown
lapw0 080A9995 Unknown Unknown Unknown
lapw0 080624FF Unknown Unknown Unknown
lapw0 0804A9AD Unknown Unknown Unknown
Unknown 00769E33 Unknown Unknown Unknown
lapw0 0804A8E1 Unknown Unknown Unknown
cat: No match.The number of plane wave does not seem to be a problem
(checked case.output2), so I'm at a bit of a loss as to what is causing this
problemThe google search on the homepage doesn't seem to be working so I
have had problems checking the mailing listHope someone can helpMichael
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