<div>gfortran -O3 -c tetra.f</div><div>gfortran -O3 -c k_brillouin.f</div><div>gfortran -O3 -c generate_tetra.f</div><div>gfortran -O3 -c det3.f</div><div>gfortran -O3 -c det4.f</div><div>gfortran -static -o tetra.x tetra.o k_brillouin.o generate_tetra.o det3.o det4.o </div>
<div>gfortran -O3 -c phonon_dos.f</div><div>gfortran -O3 -c Tetrahedra.f</div><div>gfortran -O3 -c Integration.f</div><div>Integration.f:111.72:</div><div><br></div><div> * 13X,"g_y",13X,"g_z")') </div>
<div> 1</div><div>Warning: Extension: Tab character in format at (1)</div><div>gfortran -static phonon_dos.o k_brillouin.o generate_tetra.o det3.o det4.o Tetrahedra.o Integration.o -o phonon_dos.x </div>
<div>gfortran -O3 -c Debye.f90</div><div>Debye.f90:144.8:</div><div><br></div><div> do T = T_low_start, T_low, T_low_delta</div><div> 1</div><div>Warning: Deleted feature: Loop variable at (1) must be integer</div>
<div>Debye.f90:144.11:</div><div><br></div><div> do T = T_low_start, T_low, T_low_delta</div><div> 1</div><div>Warning: Deleted feature: Start expression in DO loop at (1) must be integer</div><div>Debye.f90:144.24:</div>
<div><br></div><div> do T = T_low_start, T_low, T_low_delta</div><div> 1</div><div>Warning: Deleted feature: End expression in DO loop at (1) must be integer</div><div>Debye.f90:144.31:</div><div>
<br></div><div> do T = T_low_start, T_low, T_low_delta</div><div> 1</div><div>Warning: Deleted feature: Step expression in DO loop at (1) must be integer</div><div>Debye.f90:177.4:</div><div>
<br></div><div> do T = T_low+5, T_high, T_high_delta</div><div> 1</div><div>Warning: Deleted feature: Loop variable at (1) must be integer</div><div>Debye.f90:177.7:</div><div><br></div><div> do T = T_low+5, T_high, T_high_delta</div>
<div> 1</div><div>Warning: Deleted feature: Start expression in DO loop at (1) must be integer</div><div>Debye.f90:177.16:</div><div><br></div><div> do T = T_low+5, T_high, T_high_delta</div><div> 1</div>
<div>Warning: Deleted feature: End expression in DO loop at (1) must be integer</div><div>Debye.f90:177.24:</div><div><br></div><div> do T = T_low+5, T_high, T_high_delta</div><div> 1</div><div>Warning: Deleted feature: Step expression in DO loop at (1) must be integer</div>
<div>gfortran -O3 -c Debye_T.f</div><div>gfortran -O3 -c debye3.f</div><div>gfortran -O3 -c cheval.f</div><div>gfortran -O3 -c d1mach.f</div><div>gfortran -static -o Debye.x Debye.o Debye_T.o debye3.o cheval.o d1mach.o </div>
<div>gfortran -FR -c Mean_square_displacement.f90</div><div>Mean_square_displacement.f90:162.7:</div><div><br></div><div> do T=T_start,T_end,T_delta</div><div> 1</div><div>Warning: Deleted feature: Loop variable at (1) must be integer</div>
<div>gfortran -static -o Mean_square_displacement.x Mean_square_displacement.o </div><div>gfortran -FR -c Atom_projected_properties.f90</div><div>Atom_projected_properties.f90:180.7:</div><div><br></div><div> do T=T_start, T_end, T_delta</div>
<div> 1</div><div>Warning: Deleted feature: Loop variable at (1) must be integer</div><div>Atom_projected_properties.f90:180.9:</div><div><br></div><div> do T=T_start, T_end, T_delta</div><div> 1</div><div>
Warning: Deleted feature: Start expression in DO loop at (1) must be integer</div><div>Atom_projected_properties.f90:180.17:</div><div><br></div><div> do T=T_start, T_end, T_delta</div><div> 1</div><div>
Warning: Deleted feature: End expression in DO loop at (1) must be integer</div><div>Atom_projected_properties.f90:180.24:</div><div><br></div><div> do T=T_start, T_end, T_delta</div><div> 1</div>
<div>Warning: Deleted feature: Step expression in DO loop at (1) must be integer</div><div>gfortran -static -o Atom_projected_properties.x Atom_projected_properties.o </div><div>gfortran -FR -c F_QHA.f90</div><div>F_QHA.f90:134.7:</div>
<div><br></div><div> do T=T_start,T_end,T_delta</div><div> 1</div><div>Warning: Deleted feature: Loop variable at (1) must be integer</div><div>gfortran -static -o F_QHA.x F_QHA.o </div><div>gfortran -FR -c Ghost_DOS.f90</div>
<div>gfortran -static -o Ghost_DOS.x Ghost_DOS.o </div><div>gfortran -FR -c Partial_phonon_DOS.f90</div><div>gfortran -static -o Partial_phonon_DOS.x Partial_phonon_DOS.o </div><div>gfortran -FR -c atom_info.f90</div>
<div>gfortran -static -o atom_info.x atom_info.o </div><div>ln: creating symbolic link `tetra.x': File exists</div><div>ln: creating symbolic link `phonon_dos.x': File exists</div><div>ln: creating symbolic link `Debye.x': File exists</div>
<div>ln: creating symbolic link `Atom_projected_properties.x': File exists</div><div>ln: creating symbolic link `F_QHA.x': File exists</div><div>ln: creating symbolic link `Ghost_DOS.x': File exists</div><div>
ln: creating symbolic link `Partial_phonon_DOS.x': File exists</div><div>ln: creating symbolic link `Mean_square_displacement.x': File exists</div><div>ln: creating symbolic link `atom_info.x': File exists</div>
<div><br></div><div><br></div><div><br></div><div><br></div><div>when i want to confuger QHA code warning comes with gfortran compiler</div><div>i have no ifort so how i shall remove thoes warnings </div><div>is it ok because example files are not running </div>
<div>the error looks like this</div><div><br></div><div><div>./run_Phonon_DOS.sh</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 alas444.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>At line 27 of file Partial_phonon_DOS.f90 (unit = 5, file = 'stdin')</div><div>Fortran runtime error: Bad integer for item 1 in list input</div><div>./run_Phonon_DOS.sh: line 204: frequency: No such file or directory</div>
<div>At line 6 of file atom_info.f90 (unit = 5, file = 'stdin')</div><div>Fortran runtime error: Bad integer for item 1 in list input</div><div>At line 58 of file Atom_projected_properties.f90 (unit = 9, file = 'projected.DOS')</div>
<div>Fortran runtime error: End of file</div><div>At line 66 of file Mean_square_displacement.f90 (unit = 5, file = 'stdin')</div><div>Fortran runtime error: End of file</div><div>mv: cannot stat `Displacements': No such file or directory</div>
<div>At line 6 of file atom_info.f90 (unit = 5, file = 'stdin')</div><div>Fortran runtime error: Bad integer for item 1 in list input</div><div>At line 58 of file Atom_projected_properties.f90 (unit = 9, file = 'projected.DOS')</div>
<div>Fortran runtime error: End of file</div><div>At line 66 of file Mean_square_displacement.f90 (unit = 5, file = 'stdin')</div><div>Fortran runtime error: End of file</div><div>mv: cannot stat `Displacements': No such file or directory</div>
<div>At line 75 of file Debye.f90 (unit = 10, file = 'PHDOS.out')</div><div>Fortran runtime error: End of file</div><div>At line 92 of file F_QHA.f90 (unit = 1, file = 'PHDOS.out')</div><div>Fortran runtime error: End of file</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> </div><div><br></div><div><br></div><div><br></div><div>b d sahoo barc</div>
<div>mumbai</div><div><br></div>