[Wien] Error in elastic calculations
evren görkem özdemir
evrengorkemozdemir at gmail.com
Thu May 1 08:51:23 CEST 2025
Dear Wien Family Hello,
After the hard disk on my computer crashed, I wanted to perform elastic
calculations after performing my ground state calculations in Wien2k.19.1
before the update I installed on my new hard disk. I performed ground state
calculations. Afterwards, I encountered the following error in my elastic
calculations. Although I have given the necessary permissions in the
SCR_IRelast file, this problem persists. Can you help me with this issue?
/home/ego/Desktop/Wien2k/SRC_IRelast/script-elastic/x: Command not found.
n stop error n
clmextrapol_lapw did not extrapolate new density because of missing TEST
hup: Command not found.
head: cannot open 'TEST_GGA.inm' for reading: No such file or directory
head: cannot open 'TEST_GGA.inm' for reading: No such file or directory
no TEST_GGA.clmsum(_old) file found, which is necessary for lapw0 !
grep: No match.
grep: No match.
grep: No match.
grep: No match.
stop error
Best regards.
Gorkem.
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