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<b>From: </b>Microsoft.com team <<a href="mailto:hammad_tarek@hotmail.com">hammad_tarek@hotmail.com</a>><br><b>Date: </b>16 Mar 2024 at 20:46<br>
<b>To: </b>General discussion list for Quantum ESPRESSO developers <<a href="mailto:developers@lists.quantum-espresso.org">developers@lists.quantum-espresso.org</a>><br>

<b>Subject: Fwd: thermo_pw DOS CRASH</b><br>
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<b>From: </b>Tarek Hammad <<a href="mailto:hammad_tarek@hotmail.com">hammad_tarek@hotmail.com</a>><br><b>Date: </b>16 Mar 2024 at 16:42<br>
<b>To: </b>thermo_pw-forum-owner <<a href="mailto:thermo_pw-forum-owner@lists.quantum-espresso.org">thermo_pw-forum-owner@lists.quantum-espresso.org</a>><br>

<b>Subject: thermo_pw DOS CRASH</b><br>
<br></div><pre>Dear members and users<br><br>I using " thermo_pw" code for DOS calculations under external pressure, <br>namely I used the command " MUR_LC_DOS".<br><br>Everything was alright until the nscf calculations which return error <br>message "  Error in routine read_minimal_info (2):<br>      problems writing file".<br><br>Then, the calculations stopped with CRASH.<br><br>Herein the whole story:<br><br>input file:<br><br>&control<br>     calculation = 'scf'<br>     restart_mode='restart',<br>     prefix='silicon',<br>     tstress = .true.<br>     tprnfor = .true.<br>     pseudo_dir = '......',<br><br>  /<br>  &system<br>     ibrav=  2, celldm(1) =10.26, nat=  2, ntyp= 1,<br>     ecutwfc =25.0,<br>     nbnd=16,<br>  /<br>  &electrons<br>  /<br>ATOMIC_SPECIES<br>Si  28.086   <a href="Si.pz-vbc.UPF">Si.pz-vbc.UPF</a><br>ATOMIC_POSITIONS (alat)<br>Si 0.00 0.00 0.00<br>Si 0.25 0.25 0.25<br>K_POINTS AUTOMATIC<br>  8 8 8   0 0 0<br><br>---------------------------------------------------------------------------------------------------------<br><br>thermo_control file<br><br>&INPUT_THERMO<br>   what='mur_lc_dos',<br>  emax_input=25.,<br>   pressure=10,<br>   /<br><br>----------------------------------------------------------------------------------------------------------------<br><br>Crash file:<br><br><br>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>      task #         3<br>      from read_minimal_info : error #         2<br>      problems writing file<br>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>Would you please help me?<br><br>Kind regards<br><br>Dr. Tarek Hammad.<br><br></pre>   
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