[Pw_forum] Why I could not run SCF calculations for Be in Quantum Espresso?

Hi, I got the following two messages and could not run my job for Be. I am beginner for Quantum Espresso, so please help me by giving suggestion for correct input file and Qscript to run calculation. I am putting the input file and Qscript file for reference:/opt/sge/default/spool/lion14/job_scr

[Pw_forum] Silicon(111) surface

Dear UsersI want to perform Silicon(111) surface calculation but I have no idea how to make its structure in espresso.Kindly help me in regard. regardsKhan  ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum

Re: [Pw_forum] Pwcond error

Dear Alex, Thank you so much for your kind helping. My structure is consist of an adenine molecule connected to Au electrodes via sulphur atoms. I used one scf calculation for my structure and based on your examples I am not sure I am in right way. Could you help me please? Thank you in advance.

[Pw_forum] Fwd: about BFGS error

Dear PWSCF users, Merry xmas to all of you. In continuation of my earlier message, I want to ask one more thing is the energy it writes at the end before writing the error number of scf cycles= 11 number of bfgs steps= 7 energy old=-317.7992983002 Ry

[Pw_forum] pp.x - error in routine chdens

Dear all users, I am trying to run pp.x for 1 layer graphene. here is the input: = &inputPP prefix= '1l-gr', outdir='tmp', plot_num=11, filplot = 'gr.pot' / &plot iflag=3, output_format=3, / = According to the inpu