[xcrysden] Error while opening PWscf output file
dev pe
devan.umd at gmail.com
Wed Apr 3 03:37:14 CEST 2013
Dear XCrySDen users
I have concatenated many PWscf output files from a MD run. I am trying to
open the final file using Xcrysden 1.5.25-semishared. But I keep getting
the following error message:
ERROR: while executing exec
/home/user/XCrysden-1.5.25-bin-semishared/bin/gengeom 0 1111111
xcgengeom.10789
/home/user/xcrys_tmp/xc_10789/pwo2xsf.xsf.raw
I have fixed some ions during my MD run by specifying 0 against their
atomic location in the ATOMIC POSITIONS card in my PW input. They appear in
the output file too. Does Xcrysden ignore those 0's while reading the PW
output file?
Please let me know about the issue.
Any help is appreciated.
Thanks
Dev
PhD student
UMCP
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