Dear Paolo
Thank you for reply. I upgrade the file to 5th version.
I installed gawk 4. Now, I recieve this error:
Error in _Symmetry_equiv_pos_as_xyz. Number of fields !=3: [1]= [2]= [3]=
D:
Regards
David Foster
Ph.D. Student of Chemistry
On
This is the header of the last version. Note the fourth line:
---
# Version 0.5 Date: 02-Oct-2013
# Version 0.4 Date: 12 Jun 2013
# Version 0.3 Date: 15 Nov 2012
# tested with GNU awk v.4 - may not work with earlier versions
---
P.
On Tue, 2014-01-07 at 07:08 -0800, David Foster wrote:
> I
pplication/pkcs7-signature
Size: 2956 bytes
Desc: S/MIME Cryptographic Signature
Url :
http://pwscf.org/pipermail/pw_forum/attachments/20140107/144a4ca4/attachment.bin
pplication/pkcs7-signature
Size: 2956 bytes
Desc: S/MIME Cryptographic Signature
Url :
http://pwscf.org/pipermail/pw_forum/attachments/20140107/ae2d046d/attachment.bin
And I run as follows:
./cif2qe.sh rutile
without .cif
Regards
David Foster
Ph.D. Student of Chemistry
On Tue, 1/7/14, Lorenzo Paulatto wrote:
Subject: Re: [Pw_forum] Error in converting CIF to QE by "cif2qe.sh"
To: "PWSCF Forum"
Date:
Dear Lorenzo
Thank you for your reply. I used 5.0.2 version of QE. I didn't change anything.
I will download new version and try.
I work on Debian 7.0 which "mwak" has been installed on it. Do I need to
install "gawk" on it.
Regards
David Foster
Ph.D. Student of Chemistry
Dear Users,
I used cif2qe.sh shell in PW/tools directory to convert rutile.cif to
QE input. I got following errors:
awk: 29: unexpected character '&'
awk: line 75: syntax error at or near [
awk: line 99: syntax error at or near [
awk: line 101: syntax error at or near [
awk: line 105: syntax
