similarly to what
I have found...)?
if yes, How I can solve it?
- Original Message -
From: "Lorenzo Paulatto"
To: "PWSCF Forum"
Sent: Wednesday, September 3, 2014 7:08:51 PM
Subject: Re: [Pw_forum] regarding 'nscf' calculation
On 09/03/2014 04:20 PM, fatem
we have the same problem with nscf calculation in 16 processor parallel run
(in quantum espresso 5.0.1)
-the error message is
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_end (iotk_scan.
Dear QE user
In projected density of states separated for each k-points and over each k
index the sumpdos.x get error
" wrong fmf in the first line of..."
in sumpdos.f90
"IF ( trim(str1) == 'ldos(E)' ) THEN
nspin = 1
ELSEIF ( trim(str1) == 'ldosup(E)' .and. trim(str2) == 'ldosdw
Dear Mitul Mundra
Use electron_maxstep > 100,
(100 is Defult )
- Original Message -
From: "Mitul Mundra"
To: "PWSCF Forum"
Sent: Tuesday, March 4, 2014 11:03:15 PM
Subject: [Pw_forum] Convergence problem for relax calculation
Dear QE users,
I am a beginner in electronic struct
