Hi If your error is >> No species found!!! i think you need to check the size of your unit cell, make it larger, and also make sure that the energy shift parameter in your input file is tuned well, for your system use it around 300 Ry,
yours, sufian > > > > On Wed, 9 Dec 2009, [email protected] wrote: > >> >> Dear All siesta users! >> >> I have some random(?) errors. >> With the same input fdf file, it ran successfully, but due to lack of >> time, >> it didn't converge well. >> So, I just start over using the same fdf file with increased time. ( I >> didn't >> restart from the previous run). But, this time, unexpected error occurs. >> <error> >> No species found!!! >> ERROR STOP from Node: 0 >> >> I checked the fdf.log and realized my input was not written, instead all >> default values with Number_of_species = 0 were written in fdf.log (It >> makes >> the error) >> >> When I used the same fdf, my input fdf was read correctly and ran well. >> But, when I tried later, my input couldn't be read. >> >> I attached my fdf file and fdf.log file. >> >> In advance, I appreciate any help. >> >> Kyoung Kweon >
