# Copyright (C) 2001 Quantum ESPRESSO # # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU General Public License # as published by the Free Software Foundation; either version 2 # of the License. See the file `License' in the root directory # of the present distribution. # # SP: This can lead to issue if you reach the OS pipe buffer # You can increase the buffer in /proc/sys/fs/pipe-max-size fname=$1 args=$(echo $fname | awk -F= '{print $NF}') ##echo $fname > /home/sponce/program/espresso/test-suite/tmp.txt ### echo $args >> /home/sponce/program/espresso/test-suite/tmp.txt ### if [[ "$args" == "1" ]] ## then # SCF e1=`grep ! $fname | tail -1 | awk '{printf "%12.6f\n", $5}'` n1=`grep 'convergence has' $fname | tail -1 | awk '{print $6}'` f1=`grep "Total force" $fname | head -1 | awk '{printf "%8.4f\n", $4}'` p1=`grep "P= " $fname | tail -1 | awk '{print $6}'` ### fi # NSCF ef1=`grep "the Fermi energy is" $fname | awk '{print $5}'` eh1=`grep "highest occupied" $fname | awk '{print $7}'` el1=`grep "highest occupied" $fname | awk '{print $8}'` tf1=`grep " P = " $fname | head -1 | awk '{printf "%7.5f", $3}'` # EPW q1=`grep " q(" $fname | awk '{print $6; print $7; print $8}'` dos1=`grep "DOS =" $fname | awk '{print $3}'` e2=`grep " E(" $fname | awk '{print $4}'` rsig=`grep "Re\[Sigma\]=" $fname | awk '{print $7}'` isig=`grep "Im\[Sigma\]=" $fname | awk '{print $10}'` z1=`grep " Z=" $fname | awk '{print $13}'` lam=`grep "lam= " $fname | awk '{print $15}'` lambda=`grep " lambda(" $fname | awk '{print $4}'` lambda_tr=`grep " lambda_tr(" $fname | awk '{print $4}'` gamma=`grep " gamma=" $fname | awk '{print $6}'` omega=`grep " omega=" $fname | awk '{print $9}'` lam_tot=`grep " lambda :" $fname | awk '{print $3}'` lam_tr=`grep " lambda_tr :" $fname | awk '{print $3}'` logavg=`grep " logavg =" $fname | awk '{print $3}'` l_a2F=`grep "l_a2F =" $fname | awk '{print $6}'` efm=`grep "at Ef=" $fname | awk '{print $8}'` lam_max=`grep "lambda_max =" $fname | awk '{print $3}'` lam_kmax=`grep "lambda_k_max =" $fname | awk '{print $6}'` elph=`grep "Electron-phonon coupling strength =" $fname | awk '{print $5}'` allDyn=`grep "Estimated Allen-Dynes Tc =" $fname | awk '{print $5}'` bcsgap=`grep "Estimated BCS superconducting gap =" $fname | awk '{print $6}'` if test "$efm" != ""; then echo efm for x in $efm; do echo $x; done fi if test "$lam_max" != ""; then echo lam_max echo $lam_max fi if test "$lam_kmax" != ""; then echo lam_kmax echo $lam_kmax fi if test "$elph" != ""; then echo elph echo $elph fi if test "$allDyn" != ""; then echo allDyn echo $allDyn fi if test "$bcsgap" != ""; then echo bcsgap echo $bcsgap fi if test "$q1" != ""; then echo q1 for x in $q1; do echo $x; done fi if test "$dos1" != ""; then echo dos1 for x in $dos1; do echo $x; done fi if test "$e2" != ""; then echo e2 for x in $e2; do echo $x; done fi if test "$rsig" != ""; then echo rsig for x in $rsig; do echo $x; done fi if test "$isig" != ""; then echo isig for x in $isig; do echo $x; done fi if test "$z1" != ""; then echo z1 for x in $z1; do echo $x; done fi if test "$lam" != ""; then echo lam for x in $lam; do echo $x; done fi if test "$lamda" != ""; then echo lamda for x in $lamda; do echo $x; done fi if test "$lambda_tr" != ""; then echo lambda_tr for x in $lambda_tr; do echo $x; done fi if test "$gamma" != ""; then echo gamma for x in $gamma; do echo $x; done fi if test "$omega" != ""; then echo omega for x in $omega; do echo $x; done fi if test "$lam_tot" != ""; then echo lam_tot echo $lam_tot fi if test "$lam_tr" != ""; then echo lam_tr echo $lam_tr fi if test "$logavg" != ""; then echo logavg echo $logavg fi if test "$l_a2F" != ""; then echo l_a2F echo $l_a2F fi if test "$e1" != ""; then echo e1 echo $e1 fi if test "$n1" != ""; then echo n1 echo $n1 fi if test "$f1" != ""; then echo f1 echo $f1 fi if test "$p1" != ""; then echo p1 echo $p1 fi if test "$ef1" != ""; then echo ef1 for x in $ef1; do echo $x; done fi if test "$eh1" != ""; then echo eh1 for x in $eh1; do echo $x; done fi if test "$el1" != ""; then echo el1 for x in $el1; do echo $x; done fi if test "$tf1" != ""; then echo tf1 for x in $tf1; do echo $x; done fi