Re: [SIESTA-L] Band Structure and PDOS results not matching

2018-02-05 Por tôpico Nick Papior
I used PDOS from siesta, just as you said you did in your original post. 2018-02-04 17:25 GMT+01:00 Suman Chowdhury : > Just let me know how did you calculate the DOS.. > > On Sat, Feb 3, 2018 at 3:04 AM, Nick Papior wrote: > >> Dear Suman, >> >> I think you should solve this yourself. >> >> 201

[SIESTA-L] compilation error in tbtrans using netcdf4 in siesta4.1b2

2018-02-05 Por tôpico Dr. Mohan L. Verma
Dear Siesta Users and developers I am trying to compile tbtrans using netcdf4 in siesta4.1b2. I have successfully installed NetCDF4 using the method mentioned in the link : http://www.mail-archive.com/siesta-l@uam.es/msg09275.html I am simply using gfortran in compilation. My arch.make file

Re: [SIESTA-L] wsf.band.max problem

2018-02-05 Por tôpico maryam jamaati
Dear Afsal, Thanks a lot for your kind helps. We read the mentioned tutorial. But our problem doesn't solve. We want to know how one can specify WFS.Band.Max for different physical systems. Best regards, Maryam Jamaati On Fri, Feb 2, 2018 at 2:13 AM, KAREEKUNNAN Afsal wrote: > Dear Maryam Jama