Dear Siesta Users I trying to run optical calculations with SIESTA turning the flag Opticalcalculations on, but when the geometruy optimization get get over the program stop calculating sudently. It dont return any error message or else, but simply stop working at these ponti of calculation.
the first lines with description of my compilling options in teh out are Siesta Version: siesta-2.0.1 Architecture : intel9-mkl8 Compiler flags: ifort -w -xW -O0 -mp1 ( I turn out optimizatiosn to check if it was a problem with them ) and the last lines before the program stop working are siesta: Pressure (static): siesta: Solid Molecule Units siesta: 0.00172457 0.00169353 Ry/Bohr**3 siesta: 0.15834379 0.15549400 eV/Ang**3 siesta: 253.69747052 249.13154735 kBar Does any bady know what did I wrong?! Thanks in advance NH
