[Pw_forum] quarey regarding bandgap

. Regards Neeraj Goel M.Tech Indian School Of Mines

[Pw_forum] compile error on espresso-5.1

you must have c compilar as well as fortran complilar prior to installing quantum espresso. On 9/11/14, kajiura wrote: > Hello! > > I?m trying to compile the espresso-5.1, but I get two error messages > when I give the command ?make all?.I performed the compile in the > following procedures . > >

[Pw_forum] for bandgap information

i have attached my CuInS2 , non- self consistent file. what is the velue of badgap in this case. and how will i get this. regards Neeraj Goel Indian School of Mines -- next

[Pw_forum] for getting bandgap information

Neeraj Goel Indian School of Mines -- next part -- A non-text attachment was scrubbed... Name: sibands.dat.rap Type: application/octet-stream Size: 8032 bytes Desc: not available Url : http://pwscf.org/pipermail

[Pw_forum] question relating to crystal optimization

ill be the case with 'c'. so how will i justify the results as i have kept one parameter constant while varing the other? regards Neeraj

Re: [Pw_forum] question relating to crystal optimization

thank you very much for your suggestion. regards neeraj goel On 4/30/15, Mojtaba Mirseraji wrote: > Dear Neeraj > > I had this problem, but i could solve it. How? > you should