Re: [Wien] Error in x tetra
Thank you so much sir. It is working now. On Tue, Sep 7, 2021 at 3:48 PM Peeyush Kumar Kamlesh < peeyush.physik@gmail.com> wrote: > Dear Sir, > Greetings of the day! > I am running a case of 13 different atomic positions and calculating DoS. > I run > *total 1 tot,s,p,d,f 2 tot,s,p,d,f 3 tot,s,p,d,f 4 tot,s,p,d,f 5 > tot,s,p,d,f 6 tot,s,p,d,f 7 tot,s,p,d,f 8 tot,s,p,d,f 9 tot,s,p,d,f 10 > tot,s,p,d,f 11 tot,s,p,d,f 12 tot,s,p,d,f 13 tot,s,p,d,f* > command to configure case.int file. After that when I run x tetra, then > is shows > > *mg too small, TETRA does not support more the 51 cases > 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w* > > I am unable to understand why is it showing this error? > > Kindly tell me the solution. > > Thanks and Regards > > Peeyush Kumar Kamlesh > > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Error in x tetra
Your list of partial DOSs is too large (>51). You probably don't need to plot s,p,d,f for all atoms.? From: Wien on behalf of Peeyush Kumar Kamlesh Sent: Tuesday, September 7, 2021 12:18 PM To: wien-requ...@zeus.theochem.tuwien.ac.at; wien@zeus.theochem.tuwien.ac.at Subject: [Wien] Error in x tetra Dear Sir, Greetings of the day! I am running a case of 13 different atomic positions and calculating DoS. I run total 1 tot,s,p,d,f 2 tot,s,p,d,f 3 tot,s,p,d,f 4 tot,s,p,d,f 5 tot,s,p,d,f 6 tot,s,p,d,f 7 tot,s,p,d,f 8 tot,s,p,d,f 9 tot,s,p,d,f 10 tot,s,p,d,f 11 tot,s,p,d,f 12 tot,s,p,d,f 13 tot,s,p,d,f command to configure case.int<http://case.int> file. After that when I run x tetra, then is shows mg too small, TETRA does not support more the 51 cases 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w I am unable to understand why is it showing this error? Kindly tell me the solution. Thanks and Regards Peeyush Kumar Kamlesh ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Error in x tetra
Dear Sir, Greetings of the day! I am running a case of 13 different atomic positions and calculating DoS. I run *total 1 tot,s,p,d,f 2 tot,s,p,d,f 3 tot,s,p,d,f 4 tot,s,p,d,f 5 tot,s,p,d,f 6 tot,s,p,d,f 7 tot,s,p,d,f 8 tot,s,p,d,f 9 tot,s,p,d,f 10 tot,s,p,d,f 11 tot,s,p,d,f 12 tot,s,p,d,f 13 tot,s,p,d,f* command to configure case.int file. After that when I run x tetra, then is shows *mg too small, TETRA does not support more the 51 cases 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w* I am unable to understand why is it showing this error? Kindly tell me the solution. Thanks and Regards Peeyush Kumar Kamlesh ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
