Hi,
Probably you forgot to delete the first line of *.FCn files
for n > 1 ?. ("Force constants matrix" string).
Bye,
RobertoOn 09/27/2018 01:40 PM, sullah wrote:
Dear all, I calculated phonons for a unit-cell containing 12 atoms with a supercell translation of 1x1x1. Everything was smooth. Then, I transformed the cell as 2x2x2 and calculated the force constant matrix in part. I concatenated different siesta.FC files like siesta.FC1 siesta.FC2.... > siesta.FC. This time, when i tried to run path_to_vibra < siesta.fcbuild.fdf to get the .bands file, I encountered the following error: At line 333 of file vibra.f (unit = 11, file = 'siesta.FC') Fortran runtime error: Bad real number in item 1 of list input Any help in this regard is really appreciated. Thanks Saif Ullah Departamento de Física Instituto de Ciências Exatas - ICE Universidade Federal de Juiz de Fora - UFJF Juiz de Fora - MG - Brazil - CEP 36036-330 Cell# +55 32 9824-2176 https://www.researchgate.net/profile/Saif_Ullah41 <https://www.researchgate.net/profile/Saif_Ullah41> 1650 San Martin,
