Begin forwarded message:
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> From: Microsoft.com team <hammad_ta...@hotmail.com>
> Date: 16 Mar 2024 at 20:46
> To: General discussion list for Quantum ESPRESSO developers
> <develop...@lists.quantum-espresso.org>
> Subject: Fwd: thermo_pw DOS CRASH
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> Begin forwarded message:
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> > From: Tarek Hammad <hammad_ta...@hotmail.com>
> > Date: 16 Mar 2024 at 16:42
> > To: thermo_pw-forum-owner
> > <thermo_pw-forum-ow...@lists.quantum-espresso.org>
> > Subject: thermo_pw DOS CRASH
> >
> >
> > Dear members and users
> >
> > I using " thermo_pw" code for DOS calculations under external pressure,
> > namely I used the command " MUR_LC_DOS".
> >
> > Everything was alright until the nscf calculations which return error
> > message " Error in routine read_minimal_info (2):
> > problems writing file".
> >
> > Then, the calculations stopped with CRASH.
> >
> > Herein the whole story:
> >
> > input file:
> >
> > &control
> > calculation = 'scf'
> > restart_mode='restart',
> > prefix='silicon',
> > tstress = .true.
> > tprnfor = .true.
> > pseudo_dir = '......',
> >
> > /
> > &system
> > ibrav= 2, celldm(1) =10.26, nat= 2, ntyp= 1,
> > ecutwfc =25.0,
> > nbnd=16,
> > /
> > &electrons
> > /
> > ATOMIC_SPECIES
> > Si 28.086 Si.pz-vbc.UPF
> > ATOMIC_POSITIONS (alat)
> > Si 0.00 0.00 0.00
> > Si 0.25 0.25 0.25
> > K_POINTS AUTOMATIC
> > 8 8 8 0 0 0
> >
> > ---------------------------------------------------------------------------------------------------------
> >
> > thermo_control file
> >
> > &INPUT_THERMO
> > what='mur_lc_dos',
> > emax_input=25.,
> > pressure=10,
> > /
> >
> > ----------------------------------------------------------------------------------------------------------------
> >
> > Crash file:
> >
> >
> >
> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> > task # 3
> > from read_minimal_info : error # 2
> > problems writing file
> >
> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> >
> > Would you please help me?
> >
> > Kind regards
> >
> > Dr. Tarek Hammad.
> >
> >
>
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