提交: 2d94de8dc68bd8510e066e97a5f32df2167d17f1 - fermisurfer (git)

fermisurfer Git

Commit MetaInfo

• 修訂: 2d94de8dc68bd8510e066e97a5f32df2167d17f1 (tree)
• 時間: 2019-06-26 17:10:06
• 作者: mitsuaki1987 <kawamitsuaki@gmai...>
• Commiter: mitsuaki1987

Log Message

BXSF2FRMSF is merged to FermiSurfer

Change Summary

• modified: doc/fermisurfer.doxygen
• delete: src/bxsf2frmsf.cpp

差異

--- a/doc/fermisurfer.doxygen
+++ b/doc/fermisurfer.doxygen
@@ -1,4 +1,4 @@
-# Doxyfile 1.8.9.1
+# Doxyfile 1.8.13
 
 # This file describes the settings to be used by the documentation system
 # doxygen (www.doxygen.org) for a project.
@@ -38,7 +38,7 @@ PROJECT_NAME           = fermisurfer
 # could be handy for archiving the generated documentation or if some version
 # control system is used.
 
-PROJECT_NUMBER         = 1.10.1
+PROJECT_NUMBER         = 2.0.0
 
 # Using the PROJECT_BRIEF tag one can provide an optional one line description
 # for a project that appears at the top of each page and should give viewer a
@@ -252,7 +252,7 @@ TCL_SUBST              =
 # members will be omitted, etc.
 # The default value is: NO.
 
-OPTIMIZE_OUTPUT_FOR_C  = YES
+OPTIMIZE_OUTPUT_FOR_C  = NO
 
 # Set the OPTIMIZE_OUTPUT_JAVA tag to YES if your project consists of Java or
 # Python sources only. Doxygen will then generate output that is more tailored
@@ -303,6 +303,15 @@ EXTENSION_MAPPING      =
 
 MARKDOWN_SUPPORT       = YES
 
+# When the TOC_INCLUDE_HEADINGS tag is set to a non-zero value, all headings up
+# to that level are automatically included in the table of contents, even if
+# they do not have an id attribute.
+# Note: This feature currently applies only to Markdown headings.
+# Minimum value: 0, maximum value: 99, default value: 0.
+# This tag requires that the tag MARKDOWN_SUPPORT is set to YES.
+
+TOC_INCLUDE_HEADINGS   = 0
+
 # When enabled doxygen tries to link words that correspond to documented
 # classes, or namespaces to their corresponding documentation. Such a link can
 # be prevented in individual cases by putting a % sign in front of the word or
@@ -353,6 +362,13 @@ IDL_PROPERTY_SUPPORT   = YES
 
 DISTRIBUTE_GROUP_DOC   = NO
 
+# If one adds a struct or class to a group and this option is enabled, then also
+# any nested class or struct is added to the same group. By default this option
+# is disabled and one has to add nested compounds explicitly via \ingroup.
+# The default value is: NO.
+
+GROUP_NESTED_COMPOUNDS = NO
+
 # Set the SUBGROUPING tag to YES to allow class member groups of the same type
 # (for instance a group of public functions) to be put as a subgroup of that
 # type (e.g. under the Public Functions section). Set it to NO to prevent
@@ -515,7 +531,7 @@ CASE_SENSE_NAMES       = NO
 # scope will be hidden.
 # The default value is: NO.
 
-HIDE_SCOPE_NAMES       = YES
+HIDE_SCOPE_NAMES       = NO
 
 # If the HIDE_COMPOUND_REFERENCE tag is set to NO (default) then doxygen will
 # append additional text to a page's title, such as Class Reference. If set to
@@ -742,6 +758,12 @@ WARN_IF_DOC_ERROR      = YES
 
 WARN_NO_PARAMDOC       = NO
 
+# If the WARN_AS_ERROR tag is set to YES then doxygen will immediately stop when
+# a warning is encountered.
+# The default value is: NO.
+
+WARN_AS_ERROR          = NO
+
 # The WARN_FORMAT tag determines the format of the warning messages that doxygen
 # can produce. The string should contain the $file, $line, and $text tags, which
 # will be replaced by the file and line number from which the warning originated
@@ -765,11 +787,10 @@ WARN_LOGFILE           =
 # The INPUT tag is used to specify the files and/or directories that contain
 # documented source files. You may enter file names like myfile.cpp or
 # directories like /usr/src/myproject. Separate the files or directories with
-# spaces.
+# spaces. See also FILE_PATTERNS and EXTENSION_MAPPING
 # Note: If this tag is empty the current directory is searched.
 
-INPUT                  = ../src \
-                         ../src/variable.h
+INPUT                  = ../src
 
 # This tag can be used to specify the character encoding of the source files
 # that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses
@@ -782,14 +803,20 @@ INPUT_ENCODING         = UTF-8
 
 # If the value of the INPUT tag contains directories, you can use the
 # FILE_PATTERNS tag to specify one or more wildcard patterns (like *.cpp and
-# *.h) to filter out the source-files in the directories. If left blank the
-# following patterns are tested:*.c, *.cc, *.cxx, *.cpp, *.c++, *.java, *.ii,
-# *.ixx, *.ipp, *.i++, *.inl, *.idl, *.ddl, *.odl, *.h, *.hh, *.hxx, *.hpp,
-# *.h++, *.cs, *.d, *.php, *.php4, *.php5, *.phtml, *.inc, *.m, *.markdown,
-# *.md, *.mm, *.dox, *.py, *.f90, *.f, *.for, *.tcl, *.vhd, *.vhdl, *.ucf,
-# *.qsf, *.as and *.js.
+# *.h) to filter out the source-files in the directories.
+#
+# Note that for custom extensions or not directly supported extensions you also
+# need to set EXTENSION_MAPPING for the extension otherwise the files are not
+# read by doxygen.
+#
+# If left blank the following patterns are tested:*.c, *.cc, *.cxx, *.cpp,
+# *.c++, *.java, *.ii, *.ixx, *.ipp, *.i++, *.inl, *.idl, *.ddl, *.odl, *.h,
+# *.hh, *.hxx, *.hpp, *.h++, *.cs, *.d, *.php, *.php4, *.php5, *.phtml, *.inc,
+# *.m, *.markdown, *.md, *.mm, *.dox, *.py, *.pyw, *.f90, *.f95, *.f03, *.f08,
+# *.f, *.for, *.tcl, *.vhd, *.vhdl, *.ucf and *.qsf.
 
-FILE_PATTERNS          = *.c
+FILE_PATTERNS          = *.cpp \
+                         *.hpp
 
 # The RECURSIVE tag can be used to specify whether or not subdirectories should
 # be searched for input files as well.
@@ -873,6 +900,10 @@ IMAGE_PATH             =
 # Note that the filter must not add or remove lines; it is applied before the
 # code is scanned, but not when the output code is generated. If lines are added
 # or removed, the anchors will not be placed correctly.
+#
+# Note that for custom extensions or not directly supported extensions you also
+# need to set EXTENSION_MAPPING for the extension otherwise the files are not
+# properly processed by doxygen.
 
 INPUT_FILTER           = 
 
@@ -882,6 +913,10 @@ INPUT_FILTER           =
 # (like *.cpp=my_cpp_filter). See INPUT_FILTER for further information on how
 # filters are used. If the FILTER_PATTERNS tag is empty or if none of the
 # patterns match the file name, INPUT_FILTER is applied.
+#
+# Note that for custom extensions or not directly supported extensions you also
+# need to set EXTENSION_MAPPING for the extension otherwise the files are not
+# properly processed by doxygen.
 
 FILTER_PATTERNS        = 
 
@@ -999,7 +1034,7 @@ VERBATIM_HEADERS       = YES
 # rich C++ code for which doxygen's built-in parser lacks the necessary type
 # information.
 # Note: The availability of this option depends on whether or not doxygen was
-# compiled with the --with-libclang option.
+# generated with the -Duse-libclang=ON option for CMake.
 # The default value is: NO.
 
 CLANG_ASSISTED_PARSING = NO
@@ -1159,8 +1194,9 @@ HTML_COLORSTYLE_GAMMA  = 80
 
 # If the HTML_TIMESTAMP tag is set to YES then the footer of each generated HTML
 # page will contain the date and time when the page was generated. Setting this
-# to NO can help when comparing the output of multiple runs.
-# The default value is: YES.
+# to YES can help to show when doxygen was last run and thus if the
+# documentation is up to date.
+# The default value is: NO.
 # This tag requires that the tag GENERATE_HTML is set to YES.
 
 HTML_TIMESTAMP         = YES
@@ -1634,9 +1670,12 @@ COMPACT_LATEX          = NO
 PAPER_TYPE             = a4
 
 # The EXTRA_PACKAGES tag can be used to specify one or more LaTeX package names
-# that should be included in the LaTeX output. To get the times font for
-# instance you can specify
-# EXTRA_PACKAGES=times
+# that should be included in the LaTeX output. The package can be specified just
+# by its name or with the correct syntax as to be used with the LaTeX
+# \usepackage command. To get the times font for instance you can specify :
+# EXTRA_PACKAGES=times or EXTRA_PACKAGES={times}
+# To use the option intlimits with the amsmath package you can specify:
+# EXTRA_PACKAGES=[intlimits]{amsmath}
 # If left blank no extra packages will be included.
 # This tag requires that the tag GENERATE_LATEX is set to YES.
 
@@ -1739,6 +1778,14 @@ LATEX_SOURCE_CODE      = NO
 
 LATEX_BIB_STYLE        = plain
 
+# If the LATEX_TIMESTAMP tag is set to YES then the footer of each generated
+# page will contain the date and time when the page was generated. Setting this
+# to NO can help when comparing the output of multiple runs.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_TIMESTAMP        = NO
+
 #---------------------------------------------------------------------------
 # Configuration options related to the RTF output
 #---------------------------------------------------------------------------
@@ -2123,7 +2170,7 @@ HIDE_UNDOC_RELATIONS   = YES
 # http://www.graphviz.org/), a graph visualization toolkit from AT&T and Lucent
 # Bell Labs. The other options in this section have no effect if this option is
 # set to NO
-# The default value is: NO.
+# The default value is: YES.
 
 HAVE_DOT               = YES
 
@@ -2237,7 +2284,8 @@ INCLUDED_BY_GRAPH      = YES
 #
 # Note that enabling this option will significantly increase the time of a run.
 # So in most cases it will be better to enable call graphs for selected
-# functions only using the \callgraph command.
+# functions only using the \callgraph command. Disabling a call graph can be
+# accomplished by means of the command \hidecallgraph.
 # The default value is: NO.
 # This tag requires that the tag HAVE_DOT is set to YES.
 
@@ -2248,7 +2296,8 @@ CALL_GRAPH             = YES
 #
 # Note that enabling this option will significantly increase the time of a run.
 # So in most cases it will be better to enable caller graphs for selected
-# functions only using the \callergraph command.
+# functions only using the \callergraph command. Disabling a caller graph can be
+# accomplished by means of the command \hidecallergraph.
 # The default value is: NO.
 # This tag requires that the tag HAVE_DOT is set to YES.
 
@@ -2271,11 +2320,17 @@ GRAPHICAL_HIERARCHY    = YES
 DIRECTORY_GRAPH        = YES
 
 # The DOT_IMAGE_FORMAT tag can be used to set the image format of the images
-# generated by dot.
+# generated by dot. For an explanation of the image formats see the section
+# output formats in the documentation of the dot tool (Graphviz (see:
+# http://www.graphviz.org/)).
 # Note: If you choose svg you need to set HTML_FILE_EXTENSION to xhtml in order
 # to make the SVG files visible in IE 9+ (other browsers do not have this
 # requirement).
-# Possible values are: png, jpg, gif and svg.
+# Possible values are: png, png:cairo, png:cairo:cairo, png:cairo:gd, png:gd,
+# png:gd:gd, jpg, jpg:cairo, jpg:cairo:gd, jpg:gd, jpg:gd:gd, gif, gif:cairo,
+# gif:cairo:gd, gif:gd, gif:gd:gd, svg, png:gd, png:gd:gd, png:cairo,
+# png:cairo:gd, png:cairo:cairo, png:cairo:gdiplus, png:gdiplus and
+# png:gdiplus:gdiplus.
 # The default value is: png.
 # This tag requires that the tag HAVE_DOT is set to YES.
 
@@ -2326,6 +2381,11 @@ DIAFILE_DIRS           =
 
 PLANTUML_JAR_PATH      = 
 
+# When using plantuml, the PLANTUML_CFG_FILE tag can be used to specify a
+# configuration file for plantuml.
+
+PLANTUML_CFG_FILE      = 
+
 # When using plantuml, the specified paths are searched for files specified by
 # the !include statement in a plantuml block.
 

--- a/src/bxsf2frmsf.cpp
+++ /dev/null
@@ -1,315 +0,0 @@
-/*
-  The MIT License (MIT)
-
-  Copyright (c) 2014 Mitsuaki KAWAMURA
-
-  Permission is hereby granted, free of charge, to any person obtaining a copy
-  of this software and associated documentation files (the "Software"), to deal
-  in the Software without restriction, including without limitation the rights
-  to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
-  copies of the Software, and to permit persons to whom the Software is
-  furnished to do so, subject to the following conditions:
-
-  The above copyright notice and this permission notice shall be included in
-  all copies or substantial portions of the Software.
-
-  THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-  IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-  FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
-  AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
-  LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
-  OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
-  THE SOFTWARE.
-*/
-/**@file
-@brief Convert BXSF format to FRMSF format and compute Fermi velocity
-*/
-#include <stdio.h>
-#include <stdlib.h>
-#include <string.h>
-#include <math.h>
-
-int Nb;//!< Number of bands
-int Ng[3];//!< @f$k@f$-grid along each direction
-
-double Bvec[3][3];//!< Reciprocal lattice vector
-
-double ****Eig;//!< Eigenvalue @f$\varepsilon_{n k}@f$ [::Nb][::Ng[0]][::Ng[1]][::Ng[2]]
-double *****vf;//!< Fermi velocity @f${\bf v}_{{\rm F} n k}@f$ [::Nb][::Ng[0]][::Ng[1]][::Ng[2]][7]
-/*
-@brief Read BXSF file
-*/
-static void read_dat(
-  char *fname//!<[in] Input file name
-) {
-  FILE *fp;
-  char ctmp[256], ctmpEF1[16], ctmpEF2[16];
-  int ierr, ii, ib, ik0, ik1, ik2;
-  char *cerr;
-  double EF;
-
-  if ((fp = fopen(fname, "r")) == NULL) {
-    printf("file open error!!\n");
-    printf("  Press any key to exit.\n");
-    ierr = getchar();
-    exit(EXIT_FAILURE);
-  }
-  printf("\n#####  Reading BXSF file %s  #####\n\n", fname);
-
-  cerr = fgets(ctmp, 256, fp);
-  while (strstr(ctmp, "Fermi Energy:") == NULL) {
-    cerr = fgets(ctmp, 256, fp);
-  }
-  ierr = sscanf(ctmp, "%s %s %lf", ctmpEF1, ctmpEF2, &EF);
-  printf("  Fermi energy : %le\n", EF);
-
-  cerr = fgets(ctmp, 256, fp);
-  while (strstr(ctmp, "BEGIN_BLOCK_BANDGRID_3D") == NULL) {
-    cerr = fgets(ctmp, 256, fp);
-  }
-  cerr = fgets(ctmp, 256, fp);
-  cerr = fgets(ctmp, 256, fp);
-
-  cerr = fgets(ctmp, 256, fp);
-  ierr = sscanf(ctmp, "%d", &Nb);
-  printf("  Number of bands : %d \n", Nb);
-  cerr = fgets(ctmp, 256, fp);
-  ierr = sscanf(ctmp, "%d%d%d", &Ng[0], &Ng[1], &Ng[2]);
-  for (ii = 0; ii < 3; ii++) Ng[ii] -= 1;
-  printf("  k point grid : %d %d %d \n", Ng[0], Ng[1], Ng[2]);
-
-  cerr = fgets(ctmp, 256, fp);
-  for (ii = 0; ii < 3; ++ii) {
-    cerr = fgets(ctmp, 256, fp);
-    ierr = sscanf(ctmp, "%le%le%le", &Bvec[0][ii], &Bvec[1][ii], &Bvec[2][ii]);
-    printf("  Bvec %d : %f %f %f \n", ii + 1, Bvec[0][ii], Bvec[1][ii], Bvec[2][ii]);
-  }
-  
-  Eig = new double***[Nb];
-  for (ib = 0; ib < Nb; ib++) {
-    Eig[ib] = new double**[Ng[0] + 1];
-    for (ik0 = 0; ik0 <= Ng[0]; ik0++) {
-      Eig[ib][ik0] = new double*[Ng[1] + 1];
-      for (ik1 = 0; ik1 <= Ng[1]; ik1++) {
-        Eig[ib][ik0][ik1] = new double[Ng[2] + 1];
-      }/*for (ik1 = 0; ik1 < Ng[1]; ik1++)*/
-    }/*for (ik0 = 0; ik0 < Ng[0]; ik0++)*/
-  }/*for (ib = 0; ib < Nb; ib++)*/
-
-  for (ib = 0; ib < Nb; ib++) {
-    cerr = fgets(ctmp, 256, fp);
-    printf("  Reading %s", ctmp);
-
-    for (ik0 = 0; ik0 <= Ng[0]; ik0++) {
-      for (ik1 = 0; ik1 <= Ng[1]; ik1++) {
-        for (ik2 = 0; ik2 <= Ng[2]; ik2++) {
-          ierr = fscanf(fp, "%le", &Eig[ib][ik0][ik1][ik2]);
-          Eig[ib][ik0][ik1][ik2] -= EF;
-        }/*for (ik2 = 0; ik2 < Ng[2]; ik2++)*/
-      }/*for (ik1 = 0; ik1 < Ng[1]; ik1++)*/
-    }/*for (ik0 = 0; ik0 < Ng[0]; ik0++)*/
-
-    cerr = fgets(ctmp, 256, fp);
-
-  }/*for (ib = 0; ib < Nb; ib++)*/
-}
-/**
-@brief This routine compute the Fermi verocity from differentiate of e_{n k}.
-*/
-static void fvel() {
-  int ik0, ik1, ik2, ib, ii, jj, ikv[3], ikp[3], ikm[3];
-  double de[3];
-  double det, avec[3][3], alength[3];
-
-  printf("\n#####  Compute the Fermi velocity  #####\n\n");
-
-  /*
-   Compute direct lattice vectors
-  */
-  det = -Bvec[0][2] * Bvec[1][1] * Bvec[2][0]
-      + Bvec[0][1] * Bvec[1][2] * Bvec[2][0]
-      + Bvec[0][2] * Bvec[1][0] * Bvec[2][1]
-      - Bvec[0][0] * Bvec[1][2] * Bvec[2][1]
-      - Bvec[0][1] * Bvec[1][0] * Bvec[2][2]
-      + Bvec[0][0] * Bvec[1][1] * Bvec[2][2];
-
-  avec[0][0] = -Bvec[1][2] * Bvec[2][1] + Bvec[1][1] * Bvec[2][2];
-  avec[0][1] = Bvec[0][2] * Bvec[2][1] - Bvec[0][1] * Bvec[2][2];
-  avec[0][2] = -Bvec[0][2] * Bvec[1][1] + Bvec[0][1] * Bvec[1][2];
-  avec[1][0] = Bvec[1][2] * Bvec[2][0] - Bvec[1][0] * Bvec[2][2];
-  avec[1][1] = -Bvec[0][2] * Bvec[2][0] + Bvec[0][0] * Bvec[2][2];
-  avec[1][2] = Bvec[0][2] * Bvec[1][0] - Bvec[0][0] * Bvec[1][2];
-  avec[2][0] = -Bvec[1][1] * Bvec[2][0] + Bvec[1][0] * Bvec[2][1];
-  avec[2][1] = Bvec[0][1] * Bvec[2][0] - Bvec[0][0] * Bvec[2][1];
-  avec[2][2] = -Bvec[0][1] * Bvec[1][0] + Bvec[0][0] * Bvec[1][1];
-  for (ii = 0; ii < 3; ++ii) {
-    for (jj = 0; jj < 3; ++jj) avec[ii][jj] /= det;
-      printf("  avec %d : %f %f %f \n", ii + 1, avec[ii][0], avec[ii][1], avec[ii][2]);
-  }
-
-  for (ii = 0; ii < 3; ii++)
-    alength[ii] = sqrt(
-      avec[0][ii] * avec[0][ii] + avec[1][ii] * avec[1][ii] + avec[2][ii] * avec[2][ii]);
-  printf("  alength : %f %f %f \n", alength[0], alength[1], alength[2]);
-  /*
-   malloc fermi velocity
-  */
-  vf = new double****[Nb];
-  for (ib = 0; ib < Nb; ib++) {
-    vf[ib] = new double***[Ng[0]];
-    for (ik0 = 0; ik0 < Ng[0]; ik0++) {
-      vf[ib][ik0] = new double**[Ng[1]];
-      for (ik1 = 0; ik1 < Ng[1]; ik1++) {
-        vf[ib][ik0][ik1] = new double*[Ng[2]];
-        for (ik2 = 0; ik2 < Ng[2]; ik2++) {
-          vf[ib][ik0][ik1][ik2] = new double[7];
-        }
-      }/*for (ik1 = 0; ik1 < Ng[1]; ik1++)*/
-    }/*for (ik0 = 0; ik0 < Ng[0]; ik0++)*/
-  }/*for (ib = 0; ib < Nb; ib++)*/
-
-  for (ik0 = 0; ik0 < Ng[0]; ik0++) {
-    ikv[0] = ik0;
-    for (ik1 = 0; ik1 < Ng[1]; ik1++) {
-      ikv[1] = ik1;
-      for (ik2 = 0; ik2 < Ng[2]; ik2++) {
-        ikv[2] = ik2;
- 
-        for (ib = 0; ib < Nb; ib++) {
-          for (ii = 0; ii < 3; ii++) {
-
-            for (jj = 0; jj < 3; jj++) {
-              ikp[jj] = ikv[jj];
-              ikm[jj] = ikv[jj];
-            }
-            if(ikv[ii] == Ng[ii] - 1) ikp[ii] = 0;
-            else ikp[ii] += 1;
-
-            if (ikv[ii] == 0) ikm[ii] = Ng[ii] - 1;
-            else ikm[ii] -= 1;
-
-            de[ii] = Eig[ib][ikp[0]][ikp[1]][ikp[2]]
-                   - Eig[ib][ikm[0]][ikm[1]][ikm[2]];
-            de[ii] *= 0.5 * (double)Ng[ii];
-          }/*for (ii = 0; ii < 3; ii++)*/
-
-          for (ii = 0; ii < 3; ii++) {
-            vf[ib][ik0][ik1][ik2][ii] = de[ii] * alength[ii];
-            vf[ib][ik0][ik1][ik2][ii + 3] =
-              avec[0][ii] * de[0] + avec[1][ii] * de[1] + avec[2][ii] * de[2];
-          }/*for (ii = 0; ii < 3; ii++)*/
-          vf[ib][ik0][ik1][ik2][6] = sqrt(
-              vf[ib][ik0][ik1][ik2][3] * vf[ib][ik0][ik1][ik2][3]
-            + vf[ib][ik0][ik1][ik2][4] * vf[ib][ik0][ik1][ik2][4]
-            + vf[ib][ik0][ik1][ik2][5] * vf[ib][ik0][ik1][ik2][5]);
-   
-        }/*for (ib = 0; ib < Nb; ib++)*/
-      }/* for (ik2 = 0; ik2 < Ng[2]; ik2++)*/
-    }/*for (ik1 = 0; ik1 < Ng[1]; ik1++)*/
-  }/* for (ik0 = 0; ik0 < Ng[0]; ik0++)*/
-}/*void fvel()*/
-/**
-@brief Write FRMSF file
-*/
-static void write_file(
-  char *fname1, //!< [in] File name without 
-  const char *ext, //!< [in] File tail
-  int component //!< [in] Component of the Fermi velocity
-) 
-{
-  FILE* fo;
-  int ierr, ibnd, ik0, ik1, ik2, ii;
-  char fname2[256];
-  char *p;
-
-  ii = 0;
-  if (strstr(fname1, ".bxsf") != NULL) {
-    for (p = &fname1[0]; p < strstr(fname1, ".bxsf"); p++) fname2[ii++] = *p;
-  }
-  else if (strstr(fname1, ".BXSF") != NULL) {
-    for (p = &fname1[0]; p < strstr(fname1, ".BXSF"); p++) fname2[ii++] = *p;
-  }
-  else if (strstr(fname1, ".Bxsf") != NULL) {
-    for (p = &fname1[0]; p < strstr(fname1, ".Bxsf"); p++) fname2[ii++] = *p;
-  }
-  else {
-    printf("ERROR! Extension shoud be .bxsf, .BXSF, or .Bxsf !\n");
-    printf("  Press any key to exit.\n");
-    ierr = getchar();
-    exit(-1);
-  }
-  sprintf(&fname2[ii], "%s", ext);
-
-  printf("  %s\n", fname2);
-
-  fo = fopen(fname2, "w");
-  ierr = fprintf(fo, "%d %d %d\n", Ng[0], Ng[1], Ng[2]);
-  ierr = fprintf(fo, "%d\n", 1);
-  ierr = fprintf(fo, "%d\n", Nb);
-  ierr = fprintf(fo, "%e %e %e\n", Bvec[0][0], Bvec[1][0], Bvec[2][0]);
-  ierr = fprintf(fo, "%e %e %e\n", Bvec[0][1], Bvec[1][1], Bvec[2][1]);
-  ierr = fprintf(fo, "%e %e %e\n", Bvec[0][2], Bvec[1][2], Bvec[2][2]);
-
-  for (ibnd = 0; ibnd < Nb; ++ibnd) {
-    for (ik0 = 0; ik0 < Ng[0]; ++ik0) {
-      for (ik1 = 0; ik1 < Ng[1]; ++ik1) {
-        for (ik2 = 0; ik2 < Ng[2]; ++ik2) {
-          ierr = fprintf(fo, "%e\n", Eig[ibnd][ik0][ik1][ik2]);
-        }
-      }
-    }
-  }
-  if (component != 7) {
-    for (ibnd = 0; ibnd < Nb; ++ibnd) {
-      for (ik0 = 0; ik0 < Ng[0]; ++ik0) {
-        for (ik1 = 0; ik1 < Ng[1]; ++ik1) {
-          for (ik2 = 0; ik2 < Ng[2]; ++ik2) {
-            ierr = fprintf(fo, "%e\n", vf[ibnd][ik0][ik1][ik2][component]);
-          }
-        }
-      }
-    }
-  }
-  fclose(fo);
-
-}/*void write_file()*/
-/*
- @brief Main routine of BXSF2FRMSF
-*/
-int main(
-  int argc, //!< [in]
-  char *argv[] //!< [in] Input file name
-)
-{
-  int ierr;
-
-  if (argc < 2) {
-    printf("\n\nInput file is not specified !\n");
-    printf("  Press any key to exit.\n");
-    ierr = getchar();
-    exit(-1);
-  }
-
-  read_dat(argv[1]);
-  
-  fvel();
-
-  if (argc > 2 && strncmp(argv[2], "-v", 2) == 0) {
-    printf("\n#####  Output files  #####\n\n");
-
-    write_file(argv[1], "_vfa1.frmsf\0", 0);
-    write_file(argv[1], "_vfa2.frmsf\0", 1);
-    write_file(argv[1], "_vfa3.frmsf\0", 2);
-    write_file(argv[1], "_vfx.frmsf\0", 3);
-    write_file(argv[1], "_vfy.frmsf\0", 4);
-    write_file(argv[1], "_vfz.frmsf\0", 5);
-    write_file(argv[1], "_vf.frmsf\0", 6);
-
-    printf("\n#####  DONE  #####\n");
-    printf("  Press any key to exit.\n");
-    ierr = getchar();
-  }
-  else {
-    write_file(argv[1], ".frmsf\0", 7);
-  }
-}