[CP2K-user] Error "Coodinate file not found"

ban...@gmail.com bandeir... at gmail.com
Fri Jul 10 18:12:36 UTC 2020


Dear cp2k community,

I'm trying to perform some surface calculations, but I'm having some 
problems. When I try to run the job a have the error message:  "Coordinate 
file <Vacuum100AuSlab.pdb> not found." I get the same message also using 
the .xyz file. I have double-checked, and the files are in the same 
directory of the input file. I'm using ASE to generate the coordinate files.

Maybe the file formats are not correct, or the problem is my input file?  I 
verified them, but I could not find any error. Could somebody help me solve 
this? Please. 

I'm sending in attachment the input file and the coordinate files that I'm 
using.

Yours faithfully,

Lucas Bandeira

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200710/ae027bf2/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Vacuum100AuSlab.xyz
Type: chemical/x-xyz
Size: 25336 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200710/ae027bf2/attachment.xyz>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 100_Vacuum.inp
Type: chemical/x-gamess-input
Size: 1554 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200710/ae027bf2/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Vacuum100AuSlab.pdb
Type: application/x-aportisdoc
Size: 32478 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200710/ae027bf2/attachment.bin>


More information about the CP2K-user mailing list