質問編集履歴
1
sum_dosの表記を変更した
test
CHANGED
|
File without changes
|
test
CHANGED
|
@@ -61,7 +61,7 @@
|
|
|
61
61
|
double complex a_cube = 1;//= 0.246 * pow(10, -9); //格子定数[nm]
|
|
62
62
|
double k_x = -1.5*b_pi / a_cube; //-2*b_pi/a_cube/pow(3,0.5); //↓のk_xの値を変えるのも忘れずに！ K+,K-で値が変わるよ！
|
|
63
63
|
double k_y = 0;
|
|
64
|
-
double e
|
|
64
|
+
double e=-3.5;
|
|
65
65
|
double sum_dos[n];
|
|
66
66
|
|
|
67
67
|
FILE* fp;
|
|
@@ -259,23 +259,24 @@
|
|
|
259
259
|
}*/
|
|
260
260
|
|
|
261
261
|
|
|
262
|
-
fprintf(fp, "%2f %lf %lf\n",k_x,e,sum_density[r]);
|
|
262
|
+
//fprintf(fp, "%2f %lf %lf\n",k_x,e,sum_density[r]);
|
|
263
263
|
|
|
264
264
|
|
|
265
265
|
}
|
|
266
266
|
|
|
267
267
|
for(int i=0;i<n;i++){
|
|
268
|
-
sum_dos[
|
|
268
|
+
sum_dos[h] +=sum_density[i];
|
|
269
269
|
}
|
|
270
270
|
|
|
271
271
|
|
|
272
272
|
//printf("%lf\n",sum_dos);
|
|
273
|
-
|
|
273
|
+
fprintf(fp, "%2f %lf %lf\n",e,sum_density[h],sum_dos[h]);
|
|
274
274
|
}
|
|
275
275
|
|
|
276
276
|
fclose(fp);
|
|
277
277
|
return 0;
|
|
278
278
|
}
|
|
279
|
+
|
|
279
280
|
```
|
|
280
281
|
|
|
281
282
|
### 試したこと
|