[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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