Your error lies in the python script, nothing wrong with siesta here... You have to debug your python script. :)
2015-12-16 10:59 GMT+01:00 <[email protected]>: > Dear SIESTA Users, > > While using the flags of > PAO.Filter T > VNA.Filter T > FilterCutoff 100 Ry > This error has appeared. > > Total calls to SIESTA = 11.0 > SIESTA call number 1 > tqli: too many iterations > Traceback (most recent call last): > File "./autosiesta.py", line 157, in <module> > f_out.write('%20s ' % Etot) > NameError: name 'Etot' is not defined > > I am trying to minimize the eggbox effect for GaN. > Does anybody have faced same problem earlier, then please suggest > how to overcome this issue. > > I have attached the fdf file here. > > ---------------------------------------------------------------------- > ---------------------------------------------------------------------- > Sanjay Kumar Nayak > PhD Student > Jawaharlal Nehru Centre for Advanced Scientific Research( JNCASR ) > Bangalore 560064 > India > > -- Kind regards Nick
