[Wien] Band labeling

2015-10-25 Thread emami seyyed amir abbas
Dear users I am trying to label the band structures (i.e. gamma 6, gamma 7 etc). In fact, for investigation of the topological properties of compounds, it is required to specify the band index. Now how can i label the band structures? Any suggestions will be appreciate in advanced.

[Wien] need your help

2015-10-25 Thread sikander Azam
Dear All Please help me in fixing the following error ** Error in Parallel LAPW1 ** LAPW1 STOPPED at Sun Oct 25 18:30:40 CET 2015 ** check ERROR FILES! Error in LAPW1 'SELECT' - no energy limits found for atom 1 L= 0 'SELECT' - E-bottom -200.0 E-top -200.0 Error in LAPW1 'SELECT' - no

Re: [Wien] need your help

2015-10-25 Thread Gavin Abo
Search the mailing list archive [ http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/ ]. When E-bottom and E-top are both -200, that typically indicates that something is likely wrong with the struct file [ http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10860.html

Re: [Wien] need your help

2015-10-25 Thread sikander Azam
Dear Sir Gavin Abo Thanks sir for your help. Regards Sikander On Sun, Oct 25, 2015 at 6:55 PM, Gavin Abo wrote: > Search the mailing list archive [ > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/ ]. > > When E-bottom and E-top are both -200, that typically