Dear All,
I will be thankful if someone can help to address this issue. I am using latest version of Quantum Espresso. My system is Bulk Cu2O and I have performed all the steps as mentioned in example 15 to get RAMAN spectra. when I finally open my case.dm.out file, then there are only 3 collums (mentioned bellow) and and there is no data column for RAMAN. Calculation of RMAN is new for me and I hope someone can guide me to finish this task.
# mode [cm-1] [THz] IR
1 -108.35 -3.2481 0.0000
2 -108.35 -3.2481 0.0000
3 0.00 0.0000 0.0000
4 0.00 0.0000 0.0000
5 &nb sp; 0.00 0.0000 0.0000
6 0.00 0.0000 0.0000
7 0.00 0.0000 0.0000
8 0.00 0.0000 0.0000
9 103.21 3.0941 0.0000
10 103.21 3.0941 0.0000
11 137.76 4.1301 0.0000
12 318.03 9.5343 0.0000
13 318.03 9.5343 0.0000
14 376.35 11.2827 0.0000
15 &nb sp; 520.91 15.6165 0.0000
&! nbsp;&nb sp; 16 646.88 19.3931 0.0000
17 646.88 19.3931 0.0000
18 660.84 19.8115 0.0000
Thank you
Masood
UNIST, Korea
I will be thankful if someone can help to address this issue. I am using latest version of Quantum Espresso. My system is Bulk Cu2O and I have performed all the steps as mentioned in example 15 to get RAMAN spectra. when I finally open my case.dm.out file, then there are only 3 collums (mentioned bellow) and and there is no data column for RAMAN. Calculation of RMAN is new for me and I hope someone can guide me to finish this task.
# mode [cm-1] [THz] IR
1 -108.35 -3.2481 0.0000
2 -108.35 -3.2481 0.0000
3 0.00 0.0000 0.0000
4 0.00 0.0000 0.0000
5 &nb sp; 0.00 0.0000 0.0000
6 0.00 0.0000 0.0000
7 0.00 0.0000 0.0000
8 0.00 0.0000 0.0000
9 103.21 3.0941 0.0000
10 103.21 3.0941 0.0000
11 137.76 4.1301 0.0000
12 318.03 9.5343 0.0000
13 318.03 9.5343 0.0000
14 376.35 11.2827 0.0000
15 &nb sp; 520.91 15.6165 0.0000
&! nbsp;&nb sp; 16 646.88 19.3931 0.0000
17 646.88 19.3931 0.0000
18 660.84 19.8115 0.0000
Thank you
Masood
UNIST, Korea
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