Re: [QE-users] problem with hq.x

2020-08-04 Thread José Carlos Conesa Cegarra
*Sent:* Tuesday, August 4, 2020 5:02:06 PM *To:* users@lists.quantum-espresso.org *Subject:* [QE-users] problem with hq.x Dear colleagues, I have found a problem when running hp.x after a pw.x calculation on a nitride. The input to pw.x was the following:     title = 'calc

Re: [QE-users] problem with hq.x

2020-08-04 Thread Timrov Iurii
land +41 21 69 34 881 http://people.epfl.ch/265334 From: users on behalf of José Carlos Conesa Cegarra Sent: Tuesday, August 4, 2020 5:02:06 PM To: users@lists.quantum-espresso.org Subject: [QE-users] problem with hq.x Dear colleagues, I have found a problem when

[QE-users] problem with hq.x

2020-08-04 Thread José Carlos Conesa Cegarra
Dear colleagues, I have found a problem when running hp.x after a pw.x calculation on a nitride. The input to pw.x was the following:    title = 'calc CuGeSnN4'    calculation = 'scf'    restart_mode = 'from_scratch'    prefix = 'CuGeSnN4'    outdir = './tmp'