Re: [Wien] lapw2dm error in runsp_c_lapw -eece -so

2013-06-09 Thread Francisco Garcia
Hi Gavin, I included the statement if ( $?eece) total_exec lapw2 -c -dn $so $para $vresp $in1orig on line 581 of the script runsp_c_lapw and still got Error in LAPW2DM ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

Re: [Wien] lapw2dm error in runsp_c_lapw -eece -so

2013-06-09 Thread Gavin Abo
I don't know, someone else might be able to help if you provide some more information. Is this error in uplapwdm.error? I think you likely have to provide the case.outputdmup file. I included the statement if ( $?eece) total_exec lapw2 -c -dn $so $para $vresp $in1orig on line 581 of the

Re: [Wien] lapw2dm error in runsp_c_lapw -eece -so

2013-06-09 Thread Laurence Marks
For someone to help more information is needed: 1. Please include the last few lines of :log so we know which lapwdm is complaining. 2. Please include details of the error. There should be a errror file (e.g. uplapwdm.error) with information. I suspect a missing file which has not been copied but

Re: [Wien] lapw2dm error in runsp_c_lapw -eece -so

2013-06-08 Thread Francisco Garcia
Hi Gavin, The solution by Prof. Marks you provided only fixes the -p problem in runsp_c_lapw -eece -p -i 1250 -ec 0.1 -cc 0.1 (the -so flag is absent in this case). When the -so flag is present I get the error that I reported earlier. Thank you.