I HAVE INSTALLED IFORT<div>BUT WHEN I RUN THE EXAMPLE</div><div>THE WRRORS COME LIKE THIS</div><div><br></div><div><div>****** input tetrahedra for BZ-integration ******</div><div> 6 3 12</div><div> 0.000000 0.000000 0.000000</div>
<div> 0.750000 0.750000 0.000000</div><div> 1.000000 0.500000 0.000000</div><div> 0.500000 0.500000 0.500000</div><div> 1.000000 0.000000 0.000000</div><div> 1.000000 0.250000 0.250000</div><div>****** input tetrahedra for BZ-integration ******</div>
<div>********************** generate_tetra *********************</div><div> NT0= 3 NTETMX= 1728</div><div> 0.0000 0.7500 1.0000 0.5000</div><div> 0.0000 0.7500 0.5000 0.5000</div><div>
0.0000 0.0000 0.0000 0.5000</div><div> 1.0000 1.0000 1.0000 1.0000</div><div> volume of tetrahedron = 0.03125</div><div> 0.0000 1.0000 1.0000 1.0000</div><div> 0.0000 0.5000 0.0000 0.2500</div>
<div> 0.0000 0.0000 0.0000 0.2500</div><div> 1.0000 1.0000 1.0000 1.0000</div><div> volume of tetrahedron = 0.02083</div><div> 0.0000 1.0000 0.5000 1.0000</div><div> 0.0000 0.5000 0.5000 0.2500</div>
<div> 0.0000 0.0000 0.5000 0.2500</div><div> 1.0000 1.0000 1.0000 1.0000</div><div> volume of tetrahedron = 0.03125</div><div> total volume of BZ is = 0.0833 omg48= 24.0000</div><div>****************** end of generate_tetra ******************</div>
<div> Recalculating omega(q) from C(R)</div><div>Cannot match namelist object name ca.fc</div><div>STOP 2</div><div>head: cannot open `frequency' for reading: No such file or directory</div><div>head: cannot open `frequency' for reading: No such file or directory</div>
<div>(standard_in) 1: syntax error</div><div>forrtl: severe (59): list-directed I/O syntax error, unit 5, file stdin</div><div>Image PC Routine Line Source </div><div>Partial_phonon_DO 08097123 Unknown Unknown Unknown</div>
<div>Partial_phonon_DO 08095E40 Unknown Unknown Unknown</div><div>Partial_phonon_DO 08069D6E Unknown Unknown Unknown</div><div>Partial_phonon_DO 0804AA7C Unknown Unknown Unknown</div>
<div>Partial_phonon_DO 0804A37A Unknown Unknown Unknown</div><div>Partial_phonon_DO 0805AC79 Unknown Unknown Unknown</div><div>Partial_phonon_DO 08058FE4 Unknown Unknown Unknown</div>
<div>Partial_phonon_DO 080483CE Unknown Unknown Unknown</div><div>Partial_phonon_DO 080482D4 Unknown Unknown Unknown</div><div>Partial_phonon_DO 080A4F8F Unknown Unknown Unknown</div>
<div>Partial_phonon_DO 080481C1 Unknown Unknown Unknown</div><div>./run_Phonon_DOS.sh: line 204: frequency: No such file or directory</div><div>forrtl: severe (59): list-directed I/O syntax error, unit 5, file stdin</div>
<div>Image PC Routine Line Source </div><div>atom_info.x 08095213 Unknown Unknown Unknown</div><div>atom_info.x 08093F30 Unknown Unknown Unknown</div>
<div>atom_info.x 08067E5E Unknown Unknown Unknown</div><div>atom_info.x 0804A8DC Unknown Unknown Unknown</div><div>atom_info.x 0804A1DA Unknown Unknown Unknown</div>
<div>atom_info.x 0805AAD9 Unknown Unknown Unknown</div><div>atom_info.x 08058E44 Unknown Unknown Unknown</div><div>atom_info.x 0804836D Unknown Unknown Unknown</div>
<div>atom_info.x 080482D4 Unknown Unknown Unknown</div><div>atom_info.x 080A317F Unknown Unknown Unknown</div><div>atom_info.x 080481C1 Unknown Unknown Unknown</div>
<div>forrtl: severe (24): end-of-file during read, unit 9, file /home/bds/bhabya/espresso-4.3/QHA/Examples/AlAs/projected.DOS</div><div>Image PC Routine Line Source </div>
<div>Atom_projected_pr 08094463 Unknown Unknown Unknown</div><div>Atom_projected_pr 08093180 Unknown Unknown Unknown</div><div>Atom_projected_pr 08065BBE Unknown Unknown Unknown</div>
<div>Atom_projected_pr 0804C99C Unknown Unknown Unknown</div><div>Atom_projected_pr 0804C29A Unknown Unknown Unknown</div><div>Atom_projected_pr 08058992 Unknown Unknown Unknown</div>
<div>Atom_projected_pr 0804846C Unknown Unknown Unknown</div><div>Atom_projected_pr 080482D4 Unknown Unknown Unknown</div><div>Atom_projected_pr 080A22CF Unknown Unknown Unknown</div>
<div>Atom_projected_pr 080481C1 Unknown Unknown Unknown</div><div>forrtl: severe (24): end-of-file during read, unit 5, file stdin</div><div>Image PC Routine Line Source </div>
<div>Mean_square_displ 0809AEA3 Unknown Unknown Unknown</div><div>Mean_square_displ 08099BC0 Unknown Unknown Unknown</div><div>Mean_square_displ 0806D00E Unknown Unknown Unknown</div>
<div>Mean_square_displ 0804B66C Unknown Unknown Unknown</div><div>Mean_square_displ 0804AF6A Unknown Unknown Unknown</div><div>Mean_square_displ 0805A7D2 Unknown Unknown Unknown</div>
<div>Mean_square_displ 08048432 Unknown Unknown Unknown</div><div>Mean_square_displ 080482D4 Unknown Unknown Unknown</div><div>Mean_square_displ 080A8D0F Unknown Unknown Unknown</div>
<div>Mean_square_displ 080481C1 Unknown Unknown Unknown</div><div>mv: cannot stat `Displacements': No such file or directory</div><div>forrtl: severe (59): list-directed I/O syntax error, unit 5, file stdin</div>
<div>Image PC Routine Line Source </div><div>atom_info.x 08095213 Unknown Unknown Unknown</div><div>atom_info.x 08093F30 Unknown Unknown Unknown</div>
<div>atom_info.x 08067E5E Unknown Unknown Unknown</div><div>atom_info.x 0804A8DC Unknown Unknown Unknown</div><div>atom_info.x 0804A1DA Unknown Unknown Unknown</div>
<div>atom_info.x 0805AAD9 Unknown Unknown Unknown</div><div>atom_info.x 08058E44 Unknown Unknown Unknown</div><div>atom_info.x 0804836D Unknown Unknown Unknown</div>
<div>atom_info.x 080482D4 Unknown Unknown Unknown</div><div>atom_info.x 080A317F Unknown Unknown Unknown</div><div>atom_info.x 080481C1 Unknown Unknown Unknown</div>
<div>forrtl: severe (24): end-of-file during read, unit 9, file /home/bds/bhabya/espresso-4.3/QHA/Examples/AlAs/projected.DOS</div><div>Image PC Routine Line Source </div>
<div>Atom_projected_pr 08094463 Unknown Unknown Unknown</div><div>Atom_projected_pr 08093180 Unknown Unknown Unknown</div><div>Atom_projected_pr 08065BBE Unknown Unknown Unknown</div>
<div>Atom_projected_pr 0804C99C Unknown Unknown Unknown</div><div>Atom_projected_pr 0804C29A Unknown Unknown Unknown</div><div>Atom_projected_pr 08058992 Unknown Unknown Unknown</div>
<div>Atom_projected_pr 0804846C Unknown Unknown Unknown</div><div>Atom_projected_pr 080482D4 Unknown Unknown Unknown</div><div>Atom_projected_pr 080A22CF Unknown Unknown Unknown</div>
<div>Atom_projected_pr 080481C1 Unknown Unknown Unknown</div><div>forrtl: severe (24): end-of-file during read, unit 5, file stdin</div><div>Image PC Routine Line Source </div>
<div>Mean_square_displ 0809AEA3 Unknown Unknown Unknown</div><div>Mean_square_displ 08099BC0 Unknown Unknown Unknown</div><div>Mean_square_displ 0806D00E Unknown Unknown Unknown</div>
<div>Mean_square_displ 0804B66C Unknown Unknown Unknown</div><div>Mean_square_displ 0804AF6A Unknown Unknown Unknown</div><div>Mean_square_displ 0805A7D2 Unknown Unknown Unknown</div>
<div>Mean_square_displ 08048432 Unknown Unknown Unknown</div><div>Mean_square_displ 080482D4 Unknown Unknown Unknown</div><div>Mean_square_displ 080A8D0F Unknown Unknown Unknown</div>
<div>Mean_square_displ 080481C1 Unknown Unknown Unknown</div><div>mv: cannot stat `Displacements': No such file or directory</div><div>forrtl: severe (24): end-of-file during read, unit 10, file /home/bds/bhabya/espresso-4.3/QHA/Examples/AlAs/PHDOS.out</div>
<div>Image PC Routine Line Source </div><div>Debye.x 0809E903 Unknown Unknown Unknown</div><div>Debye.x 0809D620 Unknown Unknown Unknown</div>
<div>Debye.x 08069A8E Unknown Unknown Unknown</div><div>Debye.x 0804C20C Unknown Unknown Unknown</div><div>Debye.x 0804BB0A Unknown Unknown Unknown</div>
<div>Debye.x 0805B372 Unknown Unknown Unknown</div><div>Debye.x 080485B3 Unknown Unknown Unknown</div><div>Debye.x 080482D4 Unknown Unknown Unknown</div>
<div>Debye.x 080AC86F Unknown Unknown Unknown</div><div>Debye.x 080481C1 Unknown Unknown Unknown</div><div>forrtl: severe (24): end-of-file during read, unit 1, file /home/bds/bhabya/espresso-4.3/QHA/Examples/AlAs/PHDOS.out</div>
<div>Image PC Routine Line Source </div><div>F_QHA.x 0809DB23 Unknown Unknown Unknown</div><div>F_QHA.x 0809C840 Unknown Unknown Unknown</div>
<div>F_QHA.x 0806E7EE Unknown Unknown Unknown</div><div>F_QHA.x 0804BC5C Unknown Unknown Unknown</div><div>F_QHA.x 0804B55A Unknown Unknown Unknown</div>
<div>F_QHA.x 0805ADC2 Unknown Unknown Unknown</div><div>F_QHA.x 080484E0 Unknown Unknown Unknown</div><div>F_QHA.x 080482D4 Unknown Unknown Unknown</div>
<div>F_QHA.x 080ABA8F Unknown Unknown Unknown</div><div>F_QHA.x 080481C1 Unknown Unknown Unknown</div><div>Phonon DOS and Quasiharmonic calculations have finished.</div>
<div>Now you can analyse these data using Gnuplot or xmgrace</div><div>Enjoy!</div></div><div><br></div><div><br></div><div><br></div><div><br></div><div>B D SAHOO </div><div>BARC </div><div>MUMBAI</div><div><br></div><div>
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