Dear Dr.Gerhard For each volume change there are 41 different c/a ratio changes. Therefore for 5 volume changes, there will be 205 structure files. Are these many structure files allowed for 2Doptimize.job?
Suddhasattwa Ghosh -----Original Message----- From: [email protected] [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Ghosh SUDDHASATTWA Sent: Wednesday, May 12, 2010 4:03 PM To: 'A Mailing list for WIEN2k users' Subject: Re: [Wien] 2Doptimize.job One of the structure file is 2D_V_-5.0_COA_48.0.struct Suddhasattwa Ghosh -----Original Message----- From: [email protected] [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Gerhard Fecher Sent: Wednesday, May 12, 2010 3:20 PM To: A Mailing list for WIEN2k users Subject: Re: [Wien] 2Doptimize.job check if you have too long file names Ciao Gerhard ==================================== Dr. Gerhard H. Fecher Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz ________________________________________ Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Ghosh SUDDHASATTWA [ssghosh at igcar.gov.in] Gesendet: Mittwoch, 12. Mai 2010 09:59 An: 'A Mailing list for WIEN2k users' Betreff: [Wien] 2Doptimize.job Dear Wien2k users, I am getting an unusual error during the 2Doptimize I had selected the default volume changes with my 41 different c/a ratio changes. I had uncommented xdstart but I got the message rm: No match. Too many ('s. Can anybody tell me what this message means Suddhasattwa Ghosh _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien _______________________________________________ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
