****** input tetrahedra for BZ-integration ****** 6 3 12 0.000000 0.000000 0.000000 0.750000 0.750000 0.000000 1.000000 0.500000 0.000000 0.500000 0.500000 0.500000 1.000000 0.000000 0.000000 1.000000 0.250000 0.250000 ****** input tetrahedra for BZ-integration ****** ********************** generate_tetra ********************* NT0= 3 NTETMX= 1728 0.0000 0.7500 1.0000 0.5000 0.0000 0.7500 0.5000 0.5000 0.0000 0.0000 0.0000 0.5000 1.0000 1.0000 1.0000 1.0000 volume of tetrahedron = 0.03125 0.0000 1.0000 1.0000 1.0000 0.0000 0.5000 0.0000 0.2500 0.0000 0.0000 0.0000 0.2500 1.0000 1.0000 1.0000 1.0000 volume of tetrahedron = 0.02083 0.0000 1.0000 0.5000 1.0000 0.0000 0.5000 0.5000 0.2500 0.0000 0.0000 0.5000 0.2500 1.0000 1.0000 1.0000 1.0000 volume of tetrahedron = 0.03125 total volume of BZ is = 0.0833 omg48= 24.0000 ****************** end of generate_tetra ****************** Recalculating omega(q) from C(R) Cannot match namelist object name alas444.fc, At line 616 of file matdyn.f90 Fortran runtime error: No such file or directory head: cannot open `frequency' for reading: No such file or directory head: cannot open `frequency' for reading: No such file or directory (standard_in) 1: parse error forrtl: severe (59): list-directed I/O syntax error, unit 5, file stdin Image PC Routine Line Source Partial_phonon_DO 000000000045BF5E Unknown Unknown Unknown Partial_phonon_DO 000000000045B15A Unknown Unknown Unknown Partial_phonon_DO 0000000000425A4E Unknown Unknown Unknown Partial_phonon_DO 0000000000403872 Unknown Unknown Unknown Partial_phonon_DO 0000000000402E8E Unknown Unknown Unknown Partial_phonon_DO 0000000000416BEE Unknown Unknown Unknown Partial_phonon_DO 00000000004159BA Unknown Unknown Unknown Partial_phonon_DO 00000000004003D7 Unknown Unknown Unknown Partial_phonon_DO 00000000004002FE Unknown Unknown Unknown Partial_phonon_DO 0000000000464AD0 Unknown Unknown Unknown Partial_phonon_DO 00000000004001E9 Unknown Unknown Unknown ./run_Phonon_DOS.sh: line 204: frequency: No such file or directory forrtl: severe (59): list-directed I/O syntax error, unit 5, file stdin Image PC Routine Line Source atom_info.x 000000000045A21E Unknown Unknown Unknown atom_info.x 000000000045941A Unknown Unknown Unknown atom_info.x 0000000000423D0A Unknown Unknown Unknown atom_info.x 000000000040356A Unknown Unknown Unknown atom_info.x 0000000000402B86 Unknown Unknown Unknown atom_info.x 00000000004168E6 Unknown Unknown Unknown atom_info.x 00000000004156B2 Unknown Unknown Unknown atom_info.x 000000000040037D Unknown Unknown Unknown atom_info.x 00000000004002FE Unknown Unknown Unknown atom_info.x 0000000000462ED0 Unknown Unknown Unknown atom_info.x 00000000004001E9 Unknown Unknown Unknown forrtl: severe (24): end-of-file during read, unit 9, file /home/project/espresso-4.3.2/QHA/Examples/AlAs/projected.DOS Image PC Routine Line Source Atom_projected_pr 0000000000459AE6 Unknown Unknown Unknown Atom_projected_pr 0000000000458CE2 Unknown Unknown Unknown Atom_projected_pr 00000000004227A2 Unknown Unknown Unknown Atom_projected_pr 0000000000405C2E Unknown Unknown Unknown Atom_projected_pr 000000000040524A Unknown Unknown Unknown Atom_projected_pr 0000000000415040 Unknown Unknown Unknown Atom_projected_pr 0000000000400499 Unknown Unknown Unknown Atom_projected_pr 00000000004002FE Unknown Unknown Unknown Atom_projected_pr 0000000000462650 Unknown Unknown Unknown Atom_projected_pr 00000000004001E9 Unknown Unknown Unknown forrtl: severe (24): end-of-file during read, unit 5, file stdin Image PC Routine Line Source Mean_square_displ 000000000045FAB6 Unknown Unknown Unknown Mean_square_displ 000000000045ECB2 Unknown Unknown Unknown Mean_square_displ 0000000000428FA6 Unknown Unknown Unknown Mean_square_displ 00000000004044F2 Unknown Unknown Unknown Mean_square_displ 0000000000403B0E Unknown Unknown Unknown Mean_square_displ 00000000004165F4 Unknown Unknown Unknown Mean_square_displ 000000000040046A Unknown Unknown Unknown Mean_square_displ 00000000004002FE Unknown Unknown Unknown Mean_square_displ 0000000000468620 Unknown Unknown Unknown Mean_square_displ 00000000004001E9 Unknown Unknown Unknown mv: cannot stat `Displacements': No such file or directory forrtl: severe (59): list-directed I/O syntax error, unit 5, file stdin Image PC Routine Line Source atom_info.x 000000000045A21E Unknown Unknown Unknown atom_info.x 000000000045941A Unknown Unknown Unknown atom_info.x 0000000000423D0A Unknown Unknown Unknown atom_info.x 000000000040356A Unknown Unknown Unknown atom_info.x 0000000000402B86 Unknown Unknown Unknown atom_info.x 00000000004168E6 Unknown Unknown Unknown atom_info.x 00000000004156B2 Unknown Unknown Unknown atom_info.x 000000000040037D Unknown Unknown Unknown atom_info.x 00000000004002FE Unknown Unknown Unknown atom_info.x 0000000000462ED0 Unknown Unknown Unknown atom_info.x 00000000004001E9 Unknown Unknown Unknown forrtl: severe (24): end-of-file during read, unit 9, file /home/project/espresso-4.3.2/QHA/Examples/AlAs/projected.DOS Image PC Routine Line Source Atom_projected_pr 0000000000459AE6 Unknown Unknown Unknown Atom_projected_pr 0000000000458CE2 Unknown Unknown Unknown Atom_projected_pr 00000000004227A2 Unknown Unknown Unknown Atom_projected_pr 0000000000405C2E Unknown Unknown Unknown Atom_projected_pr 000000000040524A Unknown Unknown Unknown Atom_projected_pr 0000000000415040 Unknown Unknown Unknown Atom_projected_pr 0000000000400499 Unknown Unknown Unknown Atom_projected_pr 00000000004002FE Unknown Unknown Unknown Atom_projected_pr 0000000000462650 Unknown Unknown Unknown Atom_projected_pr 00000000004001E9 Unknown Unknown Unknown forrtl: severe (24): end-of-file during read, unit 5, file stdin Image PC Routine Line Source Mean_square_displ 000000000045FAB6 Unknown Unknown Unknown Mean_square_displ 000000000045ECB2 Unknown Unknown Unknown Mean_square_displ 0000000000428FA6 Unknown Unknown Unknown Mean_square_displ 00000000004044F2 Unknown Unknown Unknown Mean_square_displ 0000000000403B0E Unknown Unknown Unknown Mean_square_displ 00000000004165F4 Unknown Unknown Unknown Mean_square_displ 000000000040046A Unknown Unknown Unknown Mean_square_displ 00000000004002FE Unknown Unknown Unknown Mean_square_displ 0000000000468620 Unknown Unknown Unknown Mean_square_displ 00000000004001E9 Unknown Unknown Unknown mv: cannot stat `Displacements': No such file or directory forrtl: severe (24): end-of-file during read, unit 10, file /home/project/espresso-4.3.2/QHA/Examples/AlAs/PHDOS.out Image PC Routine Line Source Debye.x 000000000046573A Unknown Unknown Unknown Debye.x 0000000000464936 Unknown Unknown Unknown Debye.x 0000000000425B22 Unknown Unknown Unknown Debye.x 00000000004050D2 Unknown Unknown Unknown Debye.x 00000000004046EE Unknown Unknown Unknown Debye.x 00000000004171D4 Unknown Unknown Unknown Debye.x 0000000000400615 Unknown Unknown Unknown Debye.x 00000000004002FE Unknown Unknown Unknown Debye.x 000000000046E3F0 Unknown Unknown Unknown Debye.x 00000000004001E9 Unknown Unknown Unknown forrtl: severe (24): end-of-file during read, unit 1, file /home/project/espresso-4.3.2/QHA/Examples/AlAs/PHDOS.out Image PC Routine Line Source F_QHA.x 000000000046214A Unknown Unknown Unknown F_QHA.x 0000000000461346 Unknown Unknown Unknown F_QHA.x 000000000042A6B2 Unknown Unknown Unknown F_QHA.x 0000000000404CC2 Unknown Unknown Unknown F_QHA.x 00000000004042DE Unknown Unknown Unknown F_QHA.x 0000000000416DC4 Unknown Unknown Unknown F_QHA.x 000000000040051C Unknown Unknown Unknown F_QHA.x 00000000004002FE Unknown Unknown Unknown F_QHA.x 000000000046AE00 Unknown Unknown Unknown F_QHA.x 00000000004001E9 Unknown Unknown Unknown Phonon DOS and Quasiharmonic calculations have finished. Now you can analyse these data using Gnuplot or xmgrace Enjoy!