Hailey

Hi guys, I am tring to calculate Ru M2,3 edges in ELNES calculation. But no matter how I play around with the parameters, I got all 0s in ELNES.OUT. Can anyone help me to take a look? Thanks!! Here is the EVALCORE.OUT using regular Ru.in n = 1, l = 0, k = 1 : -803.0895297 n = 2, l = 0, k = 1 : -114.0929388 n = 2, l = 1, k = 1 : -105.3703485 n = 2, l = 1, k = 2 : -100.5669648 n = 3, l = 0, k = 1 : -18.76644451 n = 3, l = 1, k = 1 : -15.37961018 n = 3, l = 1, k = 2 : -14.56510432 n = 3, l = 2, k =...

Hi guys, I am tring to calculate Ru M2,3 edges in ELNES calculation. But no matter how I play around with the parameters, I got all 0s in ELNES.OUT. Can anyone help me to take a look? Thanks!! Here is the EVALCORE.OUT using regular Ru.in n = 1, l = 0, k = 1 : -803.0895297 n = 2, l = 0, k = 1 : -114.0929388 n = 2, l = 1, k = 1 : -105.3703485 n = 2, l = 1, k = 2 : -100.5669648 n = 3, l = 0, k = 1 : -18.76644451 n = 3, l = 1, k = 1 : -15.37961018 n = 3, l = 1, k = 2 : -14.56510432 n = 3, l = 2, k =...

Hi guys, I am tring to calculate Ru M2,3 edges in ELNES calculation. But no matter how I play around with the parameters, I got all 0s in ELNES.OUT. Can anyone help me to take a look? Thanks!! Here is the EVALCORE.OUT using regular Ru.in n = 1, l = 0, k = 1 : -803.0895297 n = 2, l = 0, k = 1 : -114.0929388 n = 2, l = 1, k = 1 : -105.3703485 n = 2, l = 1, k = 2 : -100.5669648 n = 3, l = 0, k = 1 : -18.76644451 n = 3, l = 1, k = 1 : -15.37961018 n = 3, l = 1, k = 2 : -14.56510432 n = 3, l = 2, k =...

Hi guys, I am tring to calculate Ru M2,3 edges in ELNES calculation. But no matter how I play around with the parameters, I got all 0s in ELNES.OUT. Can anyone help me to take a look? Thanks!! Here is the EVALCORE.OUT using regular Ru.in n = 1, l = 0, k = 1 : -803.0895297 n = 2, l = 0, k = 1 : -114.0929388 n = 2, l = 1, k = 1 : -105.3703485 n = 2, l = 1, k = 2 : -100.5669648 n = 3, l = 0, k = 1 : -18.76644451 n = 3, l = 1, k = 1 : -15.37961018 n = 3, l = 1, k = 2 : -14.56510432 n = 3, l = 2, k =...

Hi guys, I am tring to calculate Ru M2,3 edges in ELNES calculation. But no matter how I play around with the parameters, I got all 0s in ELNES.OUT. Can anyone help me to take a look? Thanks!! Here is the EVALCORE.OUT using regular Ru.in n = 1, l = 0, k = 1 : -803.0895297 n = 2, l = 0, k = 1 : -114.0929388 n = 2, l = 1, k = 1 : -105.3703485 n = 2, l = 1, k = 2 : -100.5669648 n = 3, l = 0, k = 1 : -18.76644451 n = 3, l = 1, k = 1 : -15.37961018 n = 3, l = 1, k = 2 : -14.56510432 n = 3, l = 2, k =...

Hi guys, I am tring to calculate Ru M2,3 edges in ELNES calculation. But no matter how I play around with the parameters, I got all 0s in ELNES.OUT. Can anyone help me to take a look? Thanks!! Here is the modified species file: 'Ru+' : spsymb 'ruthenium+' : spname -44.0000 : spzn 184239.3393 : spmass 0.301511E-06 1.8000 41.2120 600 : rminsp, rmt, rmaxsp, nrmt 15 : nstsp 1 0 1 2.00000 T : nsp, lsp, ksp, occsp, spcore 2 0 1 1.50000 T 2 1 1 2.00000 F 2 1 2 4.00000 F 3 0 1 2.00000 F 3 1 1 2.00000 F 3...

Hi guys, I am tring to calculate Ru M2,3 edges in ELNES calculation. But no matter how I play around with the parameters, I got all 0s in ELNES.OUT. Can anyone help me to take a look? Thanks!! Here is the modified species file: 'Ru+' : spsymb 'ruthenium_new' : spname -44.0000 : spzn 184239.3393 : spmass 0.301511E-06 2.0000 48.2120 600 : rminsp, rmt, rmaxsp, nrmt 15 : nstsp 1 0 1 2.00000 T : nsp, lsp, ksp, occsp, spcore 2 0 1 1.50000 T 2 1 1 2.00000 T 2 1 2 4.00000 T 3 0 1 2.00000 T 3 1 1 2.00000...