[Wien] Problem in calculating optical conductivity
Dear Wien2k users, I am doing calculation of optical properties for a perovskite compound using Wien2k version 07.3 (Release 13/8/2007) . After successfully run the runsp_lapw -so -p lapw1 -e lcore and editing case.inop file I ran the x optic -so -up -p But i got the following error: [7] + Done ( $remote $machine[$p] ... [10] + Done ( $remote $machine[$p] ... Summary of opticpara: node41.local user=0 wallclock=0 node39.local user=0 wallclock=0 node35.local user=0 wallclock=0 node34.local user=0 wallclock=0 tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory I have also verified if the error is system dependent or not by doing calculation on other systems, but I got the same error. Could anyone please tell me about the problem. Thanks in advance. Santu Baidya SRF, CMPMS, SNBNCBS, Kolkata-700098 -- *The happiest people do not always have the best of all,* * they simply appreciate what they find on their way!!! SANTU * -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130223/a0ce5174/attachment.htm
[Wien] Problem in calculating optical conductivity
You could try: $ export _POSIX2_VERSION=199209 $ x optic -so -up -p as described in the post: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-August/011287.html On 2/23/2013 12:48 AM, Santu Baidya wrote: Dear Wien2k users, I am doing calculation of optical properties for a perovskite compound using Wien2k version 07.3 (Release 13/8/2007) . After successfully run the runsp_lapw -so -p lapw1 -e lcore and editing case.inop file I ran the x optic -so -up -p But i got the following error: [7] + Done ( $remote $machine[$p] ... [10] + Done ( $remote $machine[$p] ... Summary of opticpara: node41.local user=0 wallclock=0 node39.local user=0 wallclock=0 node35.local user=0 wallclock=0 node34.local user=0 wallclock=0 tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory I have also verified if the error is system dependent or not by doing calculation on other systems, but I got the same error. Could anyone please tell me about the problem. Thanks in advance. Santu Baidya SRF, CMPMS, SNBNCBS, Kolkata-700098 -- *The happiest people do not always have the best of all,* * they simply appreciate what they find on their way!!! SANTU * -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130223/dec78653/attachment.htm
[Wien] Problem in calculating optical conductivity
Better is to update to a more modern version of Wien2k, the one you are using is 6 years old and is substantially inferior to the current version. On Sat, Feb 23, 2013 at 9:52 AM, Gavin Abo gsabo at crimson.ua.edu wrote: You could try: $ export _POSIX2_VERSION=199209 $ x optic -so -up -p as described in the post: http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-August/011287.html On 2/23/2013 12:48 AM, Santu Baidya wrote: Dear Wien2k users, I am doing calculation of optical properties for a perovskite compound using Wien2k version 07.3 (Release 13/8/2007) . After successfully run the runsp_lapw -so -p lapw1 -e lcore and editing case.inop file I ran the x optic -so -up -p But i got the following error: [7] + Done ( $remote $machine[$p] ... [10] + Done ( $remote $machine[$p] ... Summary of opticpara: node41.local user=0 wallclock=0 node39.local user=0 wallclock=0 node35.local user=0 wallclock=0 node34.local user=0 wallclock=0 tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory tail: cannot open `+2' for reading: No such file or directory I have also verified if the error is system dependent or not by doing calculation on other systems, but I got the same error. Could anyone please tell me about the problem. Thanks in advance. Santu Baidya SRF, CMPMS, SNBNCBS, Kolkata-700098 -- *The happiest people do not always have the best of all,* * they simply appreciate what they find on their way!!! SANTU * -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130223/889c97ba/attachment.htm
